smiles stringlengths 38 1.24k | coords listlengths 18 486 | energy listlengths 1 1 | forces listlengths 18 486 |
|---|---|---|---|
[H:29][c:24]1[c:25]([c:26]([c:21]([c:22]([c:23]1[H:30])[H:31])[N:18]2[C:19](=[O:20])[C:15](=[C:16]([N:17]2[C:32]([H:33])([H:34])[H:35])[C:36]([H:37])([H:38])[H:39])[S:14][C@@:8]([C:6](=[O:7])[O:5][C:1]([H:2])([H:3])[H:4])([C:10]([F:11])([F:12])[F:13])[F:9])[H:27])[H:28] | [
-0.4601620137691498,
-3.2438790798187256,
0.8334450125694275,
-0.7067220211029053,
-4.255094051361084,
0.5100359916687012,
0.6605910062789917,
-2.997575044631958,
0.3446359932422638,
-0.47871100902557373,
-3.093440055847168,
1.79818594455719,
-1.3689279556274414,
-2.5309228897094727,
-0.... | [
-1074551.125
] | [
70.76016998291016,
-38.27977752685547,
-201.83010864257812,
8.544503211975098,
-6.005202770233154,
15.35758113861084,
-64.90377044677734,
-14.570439338684082,
39.621402740478516,
-14.760674476623535,
28.348730087280273,
111.99871063232422,
11.038732528686523,
96.33428192138672,
95.481697... |
[H:29][c:24]1[c:25]([c:26]([c:21]([c:22]([c:23]1[H:30])[H:31])[N:18]2[C:19](=[O:20])[C:15](=[C:16]([N:17]2[C:32]([H:33])([H:34])[H:35])[C:36]([H:37])([H:38])[H:39])[S:14][C@@:8]([C:6](=[O:7])[O:5][C:1]([H:2])([H:3])[H:4])([C:10]([F:11])([F:12])[F:13])[F:9])[H:27])[H:28] | [
1.163390040397644,
3.0891940593719482,
-1.7890880107879639,
0.2249789983034134,
3.0944271087646484,
-1.5500799417495728,
1.7370580434799194,
4.149377822875977,
-1.7467479705810547,
1.2167819738388062,
2.7585229873657227,
-2.9496641159057617,
1.8690060377120972,
1.9956669807434082,
-1.220... | [
-1074524.5
] | [
152.50582885742188,
3.3339786529541016,
-139.25794982910156,
-124.54019165039062,
5.835663795471191,
43.739234924316406,
-28.49367332458496,
-67.7499771118164,
13.022677421569824,
-12.141732215881348,
31.357091903686523,
50.64833450317383,
46.56310272216797,
157.68719482421875,
53.237613... |
[H:30][c:29]1[c:28]([c:27]([c:26]([c:25]([c:24]1[S:21](=[O:22])(=[O:23])[C:20]\2=[C:19]([C:18]3=[C:4]([N:5]=[C:6]4[C:11](=[C:10]([C:9](=[C:8]([N:7]4[C:16]3=[O:17])[H:15])[H:14])[H:13])[H:12])[N:3](/[C:2]2=[N:1]/[H:47])[C:36]([H:45])([H:46])[C:37]5=[C:38]([C:39](=[C:40]([O:41]5)[H:42])[H:43])[H:44])[H:35])[H:34])[H:33])... | [
-1.1836739778518677,
-3.5466039180755615,
0.1958799958229065,
-1.149906039237976,
-2.3152620792388916,
0.5019649863243103,
-2.323767900466919,
-1.5717649459838867,
0.30153900384902954,
-2.4233810901641846,
-0.25300300121307373,
0.5594949722290039,
-3.6095869541168213,
0.3230000138282776,
... | [
-2723107.5
] | [
-2.1492602825164795,
-6.099503993988037,
-2.3059818744659424,
6.810543537139893,
-18.447107315063477,
-2.4548048973083496,
-3.7904129028320312,
5.0351243019104,
0.3743862211704254,
2.994734048843384,
21.9664249420166,
6.540465831756592,
-1.8016060590744019,
-12.57158374786377,
-0.6658622... |
[H:30][c:29]1[c:28]([c:27]([c:26]([c:25]([c:24]1[S:21](=[O:22])(=[O:23])[C:20]\2=[C:19]([C:18]3=[C:4]([N:5]=[C:6]4[C:11](=[C:10]([C:9](=[C:8]([N:7]4[C:16]3=[O:17])[H:15])[H:14])[H:13])[H:12])[N:3](/[C:2]2=[N:1]/[H:47])[C:36]([H:45])([H:46])[C:37]5=[C:38]([C:39](=[C:40]([O:41]5)[H:42])[H:43])[H:44])[H:35])[H:34])[H:33])... | [
-0.009211000055074692,
-1.3021759986877441,
-3.0011088848114014,
0.571537971496582,
-1.3032870292663574,
-1.8700920343399048,
1.6557140350341797,
-0.4347650110721588,
-1.7016600370407104,
2.4081790447235107,
-0.3923560082912445,
-0.583761990070343,
3.4297521114349365,
0.47537699341773987,
... | [
-2723110.75
] | [
-1.3119176626205444,
2.027017593383789,
-6.068055152893066,
-10.864723205566406,
-5.213367462158203,
-14.219898223876953,
5.260802745819092,
2.0972418785095215,
2.619109869003296,
10.24195384979248,
-3.182326316833496,
19.84990692138672,
-3.8534488677978516,
-1.094652771949768,
-11.31928... |
[H:30][c:29]1[c:28]([c:27]([c:26]([c:25]([c:24]1[S:21](=[O:22])(=[O:23])[C:20]\2=[C:19]([C:18]3=[C:4]([N:5]=[C:6]4[C:11](=[C:10]([C:9](=[C:8]([N:7]4[C:16]3=[O:17])[H:15])[H:14])[H:13])[H:12])[N:3](/[C:2]2=[N:1]/[H:47])[C:36]([H:45])([H:46])[C:37]5=[C:38]([C:39](=[C:40]([O:41]5)[H:42])[H:43])[H:44])[H:35])[H:34])[H:33])... | [
-1.6230920553207397,
-3.366168975830078,
-0.787414014339447,
-1.410338044166565,
-2.1221280097961426,
-0.647953987121582,
-2.513674020767212,
-1.2638089656829834,
-0.6982539892196655,
-2.41446590423584,
0.07318700104951859,
-0.5544739961624146,
-3.553196907043457,
0.775833010673523,
-0.6... | [
-2723108.5
] | [
-3.5827982425689697,
-4.307862758636475,
0.21061959862709045,
2.9862709045410156,
-18.196090698242188,
-2.492176055908203,
-2.2052345275878906,
4.733218669891357,
-0.3501053750514984,
7.87931489944458,
23.239013671875,
2.114117383956909,
-3.518385648727417,
-12.074972152709961,
-3.139646... |
[H:30][c:29]1[c:28]([c:27]([c:26]([c:25]([c:24]1[S:21](=[O:22])(=[O:23])[C:20]\2=[C:19]([C:18]3=[C:4]([N:5]=[C:6]4[C:11](=[C:10]([C:9](=[C:8]([N:7]4[C:16]3=[O:17])[H:15])[H:14])[H:13])[H:12])[N:3](/[C:2]2=[N:1]/[H:47])[C:36]([H:45])([H:46])[C:37]5=[C:38]([C:39](=[C:40]([O:41]5)[H:42])[H:43])[H:44])[H:35])[H:34])[H:33])... | [
1.3427510261535645,
3.0379068851470947,
1.0808969736099243,
1.2313239574432373,
1.8796190023422241,
0.5736240148544312,
2.2338318824768066,
0.9470099806785583,
0.8827139735221863,
2.2424209117889404,
-0.31894800066947937,
0.42142900824546814,
3.2682580947875977,
-1.0984890460968018,
0.78... | [
-2723108.5
] | [
4.658598899841309,
7.300080299377441,
2.723788261413574,
-5.7760748863220215,
15.266883850097656,
5.014933109283447,
0.12776510417461395,
-6.784449577331543,
0.499546080827713,
-5.541546821594238,
-19.4785213470459,
-8.333699226379395,
2.4702775478363037,
10.592580795288086,
5.4326944351... |
[H:30][c:29]1[c:28]([c:27]([c:26]([c:25]([c:24]1[S:21](=[O:22])(=[O:23])[C:20]\2=[C:19]([C:18]3=[C:4]([N:5]=[C:6]4[C:11](=[C:10]([C:9](=[C:8]([N:7]4[C:16]3=[O:17])[H:15])[H:14])[H:13])[H:12])[N:3](/[C:2]2=[N:1]/[H:47])[C:36]([H:45])([H:46])[C:37]5=[C:38]([C:39](=[C:40]([O:41]5)[H:42])[H:43])[H:44])[H:35])[H:34])[H:33])... | [
-0.3712640106678009,
-1.2304580211639404,
-2.619976043701172,
0.46561598777770996,
-1.2016730308532715,
-1.6624699831008911,
1.3759829998016357,
-0.14191100001335144,
-1.6327710151672363,
2.382530927658081,
-0.056028999388217926,
-0.7388849854469299,
3.201874017715454,
1.0007749795913696,
... | [
-2723111.5
] | [
-1.3732649087905884,
3.721203565597534,
-4.035919189453125,
-10.42624282836914,
-7.4840569496154785,
-13.706012725830078,
5.552215576171875,
3.637868881225586,
0.8440460562705994,
15.19058895111084,
-2.4711549282073975,
14.289087295532227,
-8.206574440002441,
1.8183119297027588,
-8.68310... |
[H:13][C:12]([H:14])([H:15])[c:11]1[c:6]([c:7]([n:8][c:9]([n:10]1)[N:16]([H:17])[H:18])[Cl:19])[C:5]([H:20])([H:21])[C:1]([H:2])([H:3])[H:4] | [
-2.512964963912964,
-1.3703279495239258,
-0.8768010139465332,
-3.402345895767212,
-1.8031020164489746,
-0.8273270130157471,
-1.8236199617385864,
-1.9532510042190552,
-1.615020990371704,
-2.6069209575653076,
-0.4521409869194031,
-1.5060869455337524,
-1.8581199645996094,
-1.3429570198059082,... | [
-562859.25
] | [
18.382526397705078,
-11.594354629516602,
-267.68878173828125,
-90.51985168457031,
-46.21834945678711,
-0.473471075296402,
-33.46446990966797,
3.0791540145874023,
11.139663696289062,
0.2848176062107086,
-2.262814521789551,
26.664932250976562,
31.636381149291992,
114.08869171142578,
289.57... |
[H:30][c:25]1[c:26]([c:27]([c:22]([c:23]([c:24]1[H:31])[H:32])[N+:12]2=[C:13]3[N:14]([C:10](=[C:11]2[H:33])[c:5]4[c:6]([c:7]([c:2]([c:3]([c:4]4[H:34])[H:35])[F:1])[H:8])[H:9])[C:15]([C:16]([S:19]3)([H:17])[H:18])([H:20])[H:21])[H:28])[H:29] | [
-6.27396297454834,
-0.993848979473114,
-0.05602499842643738,
-4.954151153564453,
-0.7926809787750244,
-0.05180799961090088,
-4.28934383392334,
-0.6605349779129028,
-1.2604249715805054,
-2.9237918853759766,
-0.45030900835990906,
-1.2507339715957642,
-2.236042022705078,
-0.37544599175453186,... | [
-792905.25
] | [
1.6207090616226196,
0.08176117390394211,
-0.022467751055955887,
5.311229705810547,
1.1281616687774658,
-0.07305250316858292,
-4.628062725067139,
-0.605750560760498,
1.929999589920044,
-0.11971811950206757,
0.06014365702867508,
3.731119394302368,
-0.838605523109436,
-0.3420299291610718,
-... |
[H:30][c:25]1[c:26]([c:27]([c:22]([c:23]([c:24]1[H:31])[H:32])[N+:12]2=[C:13]3[N:14]([C:10](=[C:11]2[H:33])[c:5]4[c:6]([c:7]([c:2]([c:3]([c:4]4[H:34])[H:35])[F:1])[H:8])[H:9])[C:15]([C:16]([S:19]3)([H:17])[H:18])([H:20])[H:21])[H:28])[H:29] | [
6.261260032653809,
1.0785470008850098,
-0.04576500132679939,
4.950511932373047,
0.8302379846572876,
-0.03031500056385994,
4.111979961395264,
1.5720360279083252,
-0.8479480147361755,
2.7575109004974365,
1.3080120086669922,
-0.8290129899978638,
2.243314027786255,
0.3040420114994049,
-0.006... | [
-792905.5625
] | [
-1.1541359424591064,
-0.181191086769104,
-0.05432838946580887,
-6.216975212097168,
-0.755913496017456,
-0.16599123179912567,
5.467329978942871,
-0.23171180486679077,
2.974482774734497,
-0.5207710862159729,
-5.328495025634766,
3.0006821155548096,
6.08738374710083,
0.5014469623565674,
-1.6... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:13]2=[C:14]([N+:10](=[C:11]3[N:12]2[C:27]([C:28]([S:31]3)([H:29])[H:30])([H:32])[H:33])[c:5]4[c:6]([c:7]([c:2]([c:3]([c:4]4[H:34])[H:35])[F:1])[H:8])[H:9])[H:15])[H:22])[H:23] | [
5.983654022216797,
1.4723730087280273,
-0.140857994556427,
4.696990966796875,
1.1284370422363281,
-0.115618996322155,
4.30389404296875,
-0.058157000690698624,
-0.7158309817314148,
2.9694271087646484,
-0.41304299235343933,
-0.68824702501297,
2.0468640327453613,
0.41896000504493713,
-0.063... | [
-792904.8125
] | [
-0.23648473620414734,
-0.03937400132417679,
-0.02005460485816002,
-6.441257953643799,
-2.1779513359069824,
-0.03713873028755188,
3.6470768451690674,
4.6037092208862305,
3.1680192947387695,
-5.206791877746582,
4.189712047576904,
2.0259170532226562,
20.643705368041992,
3.6488306522369385,
... |
[H:37][c:36]1[c:35]([c:34]([c:33]([c:32]([c:31]1[S:28](=[O:29])(=[O:30])[N:4]2[C:5](=[C:6]([C:2](=[N:3]2)[C:1]([H:42])([H:43])[H:44])[S:7](=[O:8])(=[O:9])[N:10]3[C:16]([C:15]([O:14][C:13]([C:11]3([H:12])[H:23])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[C:24]([H:25])([H:26])[H:27])[H:41])[H:40])[Cl:39])[H:38] | [
-1.474645972251892,
-0.10617099702358246,
3.0040268898010254,
-0.6885179877281189,
0.2861660122871399,
1.666614055633545,
0.3757550120353699,
1.1601769924163818,
1.6072609424591064,
0.5976380109786987,
1.201859951019287,
0.3083379864692688,
-0.27005499601364136,
0.3552510142326355,
-0.63... | [
-1492484.875
] | [
-46.18608093261719,
-22.569469451904297,
-12.23647689819336,
-37.51014709472656,
7.450505256652832,
46.285037994384766,
-86.39938354492188,
-83.1683578491211,
-1.9866321086883545,
4.512172222137451,
6.670792579650879,
-66.60747528076172,
-43.563846588134766,
-9.690550804138184,
636.04998... |
[H:37][c:36]1[c:35]([c:34]([c:33]([c:32]([c:31]1[S+:28](=[O:29])=[O:30])[H:41])[H:40])[Cl:39])[H:38].[H:17][C:16]1([C:15]([O:14][C:13]([C:11]([N-:10]1)([H:12])[H:23])([H:21])[H:22])([H:19])[H:20])[H:18].[H:25][C:24]([H:26])([H:27])[C:5]1=[N:4][N:3]=[C:2]([C:6]1=[S:7](=[O:8])=[O:9])[C:1]([H:42])([H:43])[H:44] | [
0.47388800978660583,
2.5412778854370117,
-0.3709850013256073,
0.3454410135746002,
1.0644559860229492,
-0.30537301301956177,
-0.7836679816246033,
0.4620189964771271,
0.010712999850511551,
-0.543815016746521,
-0.8638200163841248,
-0.025759000331163406,
0.7411350011825562,
-1.1312940120697021... | [
-1493081.75
] | [
-2.619749069213867,
2.3671655654907227,
0.5920994281768799,
-1.426916241645813,
-8.704705238342285,
0.6878663301467896,
-5.56151008605957,
21.63533592224121,
2.4633023738861084,
5.557428359985352,
5.69023323059082,
-4.567534923553467,
2.3305890560150146,
-8.102405548095703,
-1.2198410034... |
[H:37][c:36]1[c:35]([c:34]([c:33]([c:32]([c:31]1[S+:28](=[O:29])=[O:30])[H:41])[H:40])[Cl:39])[H:38].[H:17][C:16]1([C:15]([O:14][C:13]([C:11]([N-:10]1)([H:12])[H:23])([H:21])[H:22])([H:19])[H:20])[H:18].[H:25][C:24]([H:26])([H:27])[C:5]1=[N:4][N:3]=[C:2]([C:6]1=[S:7](=[O:8])=[O:9])[C:1]([H:42])([H:43])[H:44] | [
0.7927560210227966,
-1.0375549793243408,
2.708770990371704,
0.7825019955635071,
0.025245999917387962,
1.6730339527130127,
-0.30457600951194763,
0.6985989809036255,
1.3606619834899902,
0.047214001417160034,
1.6089969873428345,
0.42855900526046753,
1.3691860437393188,
1.5208970308303833,
0... | [
-1493082.75
] | [
-2.785816192626953,
-0.8275726437568665,
2.1103439331054688,
-3.409553289413452,
9.16619873046875,
-4.137994766235352,
-4.847744464874268,
-12.118456840515137,
18.692514419555664,
2.9996848106384277,
-9.321516990661621,
-0.10338936746120453,
6.2358784675598145,
4.377024173736572,
-5.5566... |
[H:37][c:36]1[c:35]([c:34]([c:33]([c:32]([c:31]1[S+:28](=[O:29])=[O:30])[H:41])[H:40])[Cl:39])[H:38].[H:17][C:16]1([C:15]([O:14][C:13]([C:11]([N-:10]1)([H:12])[H:23])([H:21])[H:22])([H:19])[H:20])[H:18].[H:25][C:24]([H:26])([H:27])[C:5]1=[N:4][N:3]=[C:2]([C:6]1=[S:7](=[O:8])=[O:9])[C:1]([H:42])([H:43])[H:44] | [
-1.095296025276184,
-0.8032969832420349,
-2.688167095184326,
-0.3302690088748932,
-1.3479969501495361,
-1.5452179908752441,
0.9724730253219604,
-1.4862680435180664,
-1.5362459421157837,
1.313541054725647,
-2.0257349014282227,
-0.33994200825691223,
0.20972299575805664,
-2.1975018978118896,
... | [
-1493084.625
] | [
3.6340529918670654,
0.9201639294624329,
-4.612132549285889,
7.891757488250732,
-3.2059051990509033,
4.225322246551514,
-2.7712743282318115,
5.742213726043701,
-24.580791473388672,
-0.7143386006355286,
-2.6846868991851807,
-0.5391655564308167,
-7.099915027618408,
-0.7748012542724609,
11.6... |
[H:37][c:36]1[c:35]([c:34]([c:33]([c:32]([c:31]1[S+:28](=[O:29])=[O:30])[H:41])[H:40])[Cl:39])[H:38].[H:17][C:16]1([C:15]([O:14][C:13]([C:11]([N-:10]1)([H:12])[H:23])([H:21])[H:22])([H:19])[H:20])[H:18].[H:25][C:24]([H:26])([H:27])[C:5]1=[N:4][N:3]=[C:2]([C:6]1=[S:7](=[O:8])=[O:9])[C:1]([H:42])([H:43])[H:44] | [
1.3098700046539307,
-0.051702000200748444,
3.003209114074707,
1.1177819967269897,
0.6960539817810059,
1.7363519668579102,
0.12705199420452118,
1.539963960647583,
1.5604549646377563,
0.26822298765182495,
2.0799920558929443,
0.33013901114463806,
1.353363037109375,
1.5576790571212769,
-0.31... | [
-1493084.75
] | [
-1.377919316291809,
0.8737532496452332,
3.1045732498168945,
-3.6764187812805176,
7.714842796325684,
-5.696516036987305,
-2.0062572956085205,
-3.1393508911132812,
22.629234313964844,
2.502269744873047,
-2.1123600006103516,
1.4553509950637817,
5.364621162414551,
-1.1160224676132202,
-9.331... |
[H:37][c:36]1[c:35]([c:34]([c:33]([c:32]([c:31]1[S:28](=[O:29])(=[O:30])[N:4]2[C:5](=[C:6]([C:2](=[N:3]2)[C:1]([H:42])([H:43])[H:44])[S:7](=[O:8])(=[O:9])[N:10]3[C:16]([C:15]([O:14][C:13]([C:11]3([H:12])[H:23])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[C:24]([H:25])([H:26])[H:27])[H:41])[H:40])[Cl:39])[H:38] | [
2.1078970432281494,
0.9403460025787354,
-2.4548559188842773,
1.3001739978790283,
1.2470779418945312,
-1.4204089641571045,
0.050478000193834305,
1.6975460052490234,
-1.5943139791488647,
-0.5516330003738403,
1.7993379831314087,
-0.35938599705696106,
0.3511579930782318,
1.4132800102233887,
... | [
-1492575.875
] | [
-101.9228286743164,
-166.20712280273438,
-101.99067687988281,
-135.7681427001953,
36.961021423339844,
131.5256805419922,
-0.952203631401062,
-3.0150959491729736,
-42.33258819580078,
-34.350135803222656,
43.546424865722656,
-87.33714294433594,
-229.05763244628906,
90.5604476928711,
310.21... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])[C:6](=[C:5]([c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])[C:2](=[O:1])[O:3][H:4])[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
-3.567336082458496,
-2.685786008834839,
0.5491219758987427,
-2.6910159587860107,
-1.8182810544967651,
0.7469760179519653,
-1.8865050077438354,
-1.786877989768982,
1.7957179546356201,
-2.1143879890441895,
-2.7562060356140137,
2.2553350925445557,
-2.6555099487304688,
-0.6861559748649597,
-... | [
-736399.4375
] | [
51.705116271972656,
21.072799682617188,
22.846403121948242,
-94.63834381103516,
-64.39108276367188,
-5.247748851776123,
-19.943307876586914,
-95.24861145019531,
45.327239990234375,
21.415260314941406,
81.55347442626953,
-32.136077880859375,
-144.6630401611328,
73.6927261352539,
64.228240... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
0.5933910012245178,
0.6715070009231567,
-1.9913400411605835,
0.7458159923553467,
-0.4248200058937073,
-1.5150530338287354,
0.4242280125617981,
-1.543023943901062,
-2.1774709224700928,
0.05113799870014191,
-1.3291709423065186,
-3.04784893989563,
1.3553680181503296,
-0.7450540065765381,
-0... | [
-736782.5
] | [
-0.5189318656921387,
3.464848041534424,
1.4350190162658691,
-3.3900346755981445,
0.13951066136360168,
-8.737799644470215,
0.4796717166900635,
-11.214077949523926,
-3.5580856800079346,
1.4880132675170898,
5.810362815856934,
4.368160247802734,
-7.129159450531006,
-7.811539173126221,
9.7872... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
-0.11039499938488007,
-0.6148970127105713,
1.422721028327942,
0.4612399935722351,
-0.5525299906730652,
0.36644500494003296,
0.3397650122642517,
-1.4897300004959106,
-0.5773259997367859,
-0.3096970021724701,
-2.1659200191497803,
-0.2985549867153168,
1.3891639709472656,
0.5668960213661194,
... | [
-736780.125
] | [
3.6697235107421875,
1.6902847290039062,
0.5354930758476257,
-6.033227443695068,
-1.2563003301620483,
12.654594421386719,
2.3444666862487793,
-5.8534626960754395,
-13.057306289672852,
1.1581416130065918,
6.683130741119385,
3.9673421382904053,
-6.372897624969482,
11.746581077575684,
-1.933... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
-2.0279738903045654,
-2.4181580543518066,
-0.4713119864463806,
-1.9110349416732788,
-1.575719952583313,
0.38066399097442627,
-1.4435960054397583,
-1.8513330221176147,
1.6045780181884766,
-1.1890230178833008,
-2.78631591796875,
1.6637760400772095,
-2.3103959560394287,
-0.14318500459194183,
... | [
-736781
] | [
0.5682027339935303,
0.6215077638626099,
-2.8978073596954346,
1.451619267463684,
-8.508237838745117,
1.1653525829315186,
1.7816380262374878,
0.4426942765712738,
11.609346389770508,
-2.3005166053771973,
2.135871171951294,
-6.301139831542969,
9.714232444763184,
10.222979545593262,
2.4323656... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
0.05016300082206726,
1.1937739849090576,
-0.8691890239715576,
0.862089991569519,
0.8807340264320374,
-0.03759400174021721,
1.0671800374984741,
1.6074680089950562,
1.073032021522522,
0.49299898743629456,
2.3902969360351562,
1.0763380527496338,
1.783987045288086,
-0.28583601117134094,
-0.1... | [
-736779.375
] | [
1.9028977155685425,
0.39674487709999084,
-1.4458087682724,
-9.47795581817627,
5.706254959106445,
-5.116991996765137,
4.089669227600098,
1.8134820461273193,
11.045160293579102,
-0.7240789532661438,
-4.288135051727295,
-5.886996746063232,
-4.338236331939697,
-13.473724365234375,
-3.3387265... |
[H+:42].[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[C:33]3=[C:34]([C-:35]=[C:36]([C:37](=[C:38]3[H:39])[H:40])[F:41])[H:43])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
-0.629414975643158,
-1.3496789932250977,
2.288525104522705,
-1.3665130138397217,
-1.530174970626831,
1.3569459915161133,
-2.359694004058838,
-2.315437078475952,
1.4798129796981812,
-2.3865718841552734,
-2.8912711143493652,
2.3352720737457275,
-1.6037410497665405,
-0.9441530108451843,
-0.... | [
-736175.625
] | [
25.9920597076416,
21.979036331176758,
-18.487558364868164,
0.5992096066474915,
20.497732162475586,
0.1431131809949875,
-88.81671142578125,
-111.32744598388672,
46.447532653808594,
10.63410472869873,
42.1524543762207,
-41.543907165527344,
-258.0924987792969,
35.033470153808594,
257.649414... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
0.8536249995231628,
1.542273998260498,
2.20365309715271,
1.6330620050430298,
1.6397509574890137,
1.2935290336608887,
2.6284821033477783,
2.54105806350708,
1.2898039817810059,
2.6043550968170166,
3.0708799362182617,
2.102750062942505,
1.6686350107192993,
0.7685620188713074,
0.082580000162... | [
-736780.5625
] | [
1.003978967666626,
-1.1477751731872559,
-0.37547481060028076,
-7.402131080627441,
1.492436408996582,
11.02012825012207,
9.9036283493042,
7.7494306564331055,
-4.954245090484619,
-4.97594690322876,
-5.390622615814209,
-0.6356605291366577,
-12.311090469360352,
-1.9935121536254883,
-7.433870... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
2.8596060276031494,
2.7338368892669678,
0.6927520036697388,
2.4061689376831055,
1.9530880451202393,
-0.10389900207519531,
1.819991946220398,
2.3471310138702393,
-1.2413769960403442,
1.796373963356018,
3.3164000511169434,
-1.2901190519332886,
2.46504807472229,
0.46531200408935547,
-0.0138... | [
-736781
] | [
0.058270059525966644,
-0.7389432191848755,
2.8805418014526367,
0.01784186251461506,
9.18702507019043,
-0.9756544232368469,
-3.566624879837036,
-0.10433328151702881,
-11.309708595275879,
2.6376359462738037,
-2.7589690685272217,
6.097198963165283,
-12.285682678222656,
-7.554171085357666,
-... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
1.011301040649414,
0.760470986366272,
2.0499000549316406,
1.2740319967269897,
-0.2911140024662018,
1.5240089893341064,
1.1068899631500244,
-1.465667963027954,
2.142426013946533,
0.7374290227890015,
-1.3348170518875122,
3.030734062194824,
1.8657020330429077,
-0.4779199957847595,
0.1664649... | [
-736778.6875
] | [
-0.892230749130249,
2.4242758750915527,
-1.7259565591812134,
-3.1571311950683594,
0.7096012234687805,
8.32105541229248,
1.7615715265274048,
-11.596417427062988,
3.0116782188415527,
0.7336757779121399,
6.105553150177002,
-4.0381855964660645,
-7.166995525360107,
-7.3392181396484375,
-9.553... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])[C:6](=[C:5]([c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])[C:2](=[O:1])[O:3][H:4])[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
-1.824450969696045,
-2.6602139472961426,
0.6503250002861023,
-2.2307538986206055,
-1.9083709716796875,
-0.21668000519275665,
-2.8625810146331787,
-2.226958990097046,
-1.3456519842147827,
-2.941071033477783,
-3.318777084350586,
-1.4002759456634521,
-2.423290967941284,
-0.5930129885673523,
... | [
-736336.25
] | [
-1.4525833129882812,
7.983583927154541,
-28.461679458618164,
-26.685579299926758,
-134.4051513671875,
21.5003662109375,
-12.173774719238281,
-151.98822021484375,
-36.85978317260742,
7.6642327308654785,
89.64353942871094,
3.3319010734558105,
5.278229236602783,
282.0750427246094,
95.558273... |
[H+:13].[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][C:11]2=[C-:12][C:7](=[C:8]([C:9](=[C:10]2[H:29])[H:30])[H:31])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:22])[H:23] | [
-0.8784059882164001,
-1.6539700031280518,
-0.7827699780464172,
-1.1184279918670654,
-0.5255910158157349,
-1.0681380033493042,
-0.7546120285987854,
0.2514050006866455,
-2.1892740726470947,
-0.2909710109233856,
-0.4175649881362915,
-2.756989002227783,
-2.142997980117798,
0.12727800011634827,... | [
-736446.9375
] | [
40.21465301513672,
-31.101530075073242,
-24.056119918823242,
-30.37685775756836,
10.30262279510498,
-46.26383590698242,
13.30646800994873,
-70.0966567993164,
18.332979202270508,
-3.4851138591766357,
22.292499542236328,
7.585273742675781,
-10.168102264404297,
219.16493225097656,
129.87010... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
0.36987900733947754,
1.6154570579528809,
0.23802399635314941,
1.4923490285873413,
1.3462719917297363,
-0.10425499826669693,
2.3043630123138428,
2.277405023574829,
-0.640529990196228,
1.8390369415283203,
3.127065896987915,
-0.6889150142669678,
2.15761399269104,
0.021849999204277992,
-0.05... | [
-736778.75
] | [
0.23508664965629578,
0.501829981803894,
1.4954495429992676,
-13.1123628616333,
8.770794868469238,
-0.42219141125679016,
9.103742599487305,
5.054177761077881,
-5.388950824737549,
-3.902406692504883,
-5.975198268890381,
2.909836530685425,
-0.7557616829872131,
-11.264450073242188,
-0.013096... |
[H:24][c:19]1[c:20]([c:21]([c:16]([c:17]([c:18]1[H:25])[H:26])[C:15]([H:27])([H:28])[O:14][c:11]2[c:10]([c:9]([c:8]([c:7]([c:12]2[H:13])/[C:6](=[C:5](/[c:33]3[c:38]([c:37]([c:36]([c:35]([c:34]3[H:43])[H:42])[F:41])[H:40])[H:39])\[C:2](=[O:1])[O:3][H:4])/[H:32])[H:31])[H:30])[H:29])[H:22])[H:23] | [
1.7080440521240234,
2.2390029430389404,
0.6133559942245483,
1.5360840559005737,
1.2941310405731201,
-0.1123960018157959,
0.7173399925231934,
1.3422960042953491,
-1.1711920499801636,
0.2849999964237213,
2.210155963897705,
-1.220155954360962,
2.222714900970459,
-0.026388000696897507,
-0.01... | [
-736780.9375
] | [
0.34031522274017334,
-0.34966543316841125,
2.9703311920166016,
-3.3861000537872314,
8.037322998046875,
-1.173176646232605,
-4.819400787353516,
-2.0612025260925293,
-10.727751731872559,
4.398146152496338,
-1.0023045539855957,
5.545572757720947,
-7.649276256561279,
-12.07649040222168,
0.91... |
[H:34][c:29]1[c:30]([c:31]([c:26]([c:27]([c:28]1[H:35])[H:36])[S:23](=[O:24])(=[O:25])[N:21]([H:22])[N:3]2[C:2](=[O:1])/[C:7](=[C:8](/[H:20])\[c:9]3[c:14]([c:13]([c:12]([c:11]([c:10]3[H:19])[H:18])[Br:17])[H:16])[H:15])/[S:6][C:4]2=[S:5])[H:32])[H:33] | [
-0.46358200907707214,
-0.30959200859069824,
1.2028930187225342,
-1.2204699516296387,
-1.127249002456665,
0.7256079912185669,
-2.5901310443878174,
-0.9084290266036987,
0.7201200127601624,
-3.409276008605957,
-1.9060169458389282,
0.2686069905757904,
-5.01643705368042,
-1.8033620119094849,
... | [
-2961896.25
] | [
-5.550397872924805,
-7.794065952301025,
-1.5535144805908203,
17.62134552001953,
10.658629417419434,
16.595983505249023,
0.7640174031257629,
8.697200775146484,
2.7902333736419678,
-14.39152717590332,
-12.27392864227295,
-1.3805874586105347,
3.8437938690185547,
-5.005372047424316,
-2.21023... |
[H+:18].[H:34][c:29]1[c:30]([c:31]([c:26]([c:27]([c:28]1[H:35])[H:36])[S:23](=[O:24])(=[O:25])[N:21]([H:22])[N:3]2[C:2](=[O:1])/[C:7](=[C:8](/[H:20])\[C:9]3=[C:10]([C-:11]=[C:12]([C:13](=[C:14]3[H:15])[H:16])[Br:17])[H:19])/[S:6][C:4]2=[S:5])[H:32])[H:33] | [
-0.5793790221214294,
-0.15682800114154816,
-1.0019840002059937,
-1.1133970022201538,
0.7438110113143921,
-0.5959280133247375,
-2.4813950061798096,
0.8963950276374817,
-0.7624980211257935,
-3.2772951126098633,
1.8296899795532227,
-0.2332800030708313,
-4.90451192855835,
1.9181499481201172,
... | [
-2961533.25
] | [
123.98033905029297,
-150.85621643066406,
-85.5982437133789,
-149.98483276367188,
108.52725219726562,
73.98019409179688,
-101.99214172363281,
-106.32299041748047,
-81.4012222290039,
-42.46327209472656,
13.123722076416016,
-12.806989669799805,
17.120649337768555,
18.26310920715332,
12.6834... |
[H+:36].[H:19][C-:10]\1[C:11](=[C:12]([C:13](=[C:14](/[C:9]1=[C:8](/[H:20])\[C:7]2=[S+:6][C:4](=[S:5])[N:3]([C:2]2=[O:1])[N:21]([H:22])[S:23](=[O:24])(=[O:25])[C:26]3=[C-:27][C:28](=[C:29]([C:30](=[C:31]3[H:32])[H:33])[H:34])[H:35])[H:15])[H:16])[Br:17])[H:18] | [
-0.7873029708862305,
-0.2578429877758026,
-1.09380304813385,
-1.2364200353622437,
0.7188029885292053,
-0.7289329767227173,
-2.609302043914795,
0.9047459959983826,
-0.7784150242805481,
-3.3243160247802734,
1.8987460136413574,
-0.2763980031013489,
-4.952104091644287,
2.004477024078369,
-0.... | [
-2961548.25
] | [
91.08409118652344,
-142.6748809814453,
-73.94642639160156,
-134.22027587890625,
73.54383850097656,
48.97465515136719,
-107.44747924804688,
-134.2874298095703,
-78.44721221923828,
-46.002174377441406,
12.113275527954102,
-8.983080863952637,
1.9428669214248657,
19.33915901184082,
9.0729503... |
[H:34][c:29]1[c:30]([c:31]([c:26]([c:27]([c:28]1[H:35])[H:36])[S:23](=[O:24])(=[O:25])[N:21]([H:22])[N:3]2[C:2](=[O:1])/[C:7](=[C:8](/[H:20])\[c:9]3[c:14]([c:13]([c:12]([c:11]([c:10]3[H:19])[H:18])[Br:17])[H:16])[H:15])/[S:6][C:4]2=[S:5])[H:32])[H:33] | [
-0.36408498883247375,
-0.06606800109148026,
1.486361026763916,
0.3514780104160309,
-0.8336629867553711,
0.8902109861373901,
1.7338980436325073,
-0.8145570158958435,
1.079345941543579,
2.492180109024048,
-1.7543669939041138,
0.45217299461364746,
4.117063999176025,
-1.8238120079040527,
0.4... | [
-2961900
] | [
3.717257261276245,
-2.9992520809173584,
-3.1360864639282227,
-15.34961986541748,
7.702777862548828,
14.161602973937988,
-1.5727567672729492,
4.130056858062744,
4.67629337310791,
14.184653282165527,
-13.242562294006348,
-2.43123197555542,
-4.355913162231445,
-7.059887409210205,
-2.0733060... |
[H:34][c:29]1[c:30]([c:31]([c:26]([c:27]([c:28]1[H:35])[H:36])[S:23](=[O:24])(=[O:25])[N:21]([H:22])[N:3]2[C:2](=[O:1])[C:7](=[C:8]([H:20])[c:9]3[c:14]([c:13]([c:12]([c:11]([c:10]3[H:19])[H:18])[Br:17])[H:16])[H:15])[S:6][C:4]2=[S:5])[H:32])[H:33] | [
-0.10044600069522858,
-0.7664300203323364,
1.2017220258712769,
0.526593029499054,
0.25141599774360657,
0.742385983467102,
1.8978790044784546,
0.5348700284957886,
0.9028090238571167,
2.3737080097198486,
1.5564860105514526,
0.4542270004749298,
3.934497117996216,
1.7503360509872437,
0.38995... | [
-2961597.5
] | [
84.76136779785156,
49.94705581665039,
-26.47022819519043,
-130.50074768066406,
-74.35676574707031,
59.81291580200195,
-182.73599243164062,
-197.97299194335938,
77.9639663696289,
37.32221984863281,
171.8068084716797,
-73.93714141845703,
63.01156997680664,
40.945865631103516,
-7.1241426467... |
[H:29][C@@:21]1([C:20]2=[C:19]([C:33]([C:30]1([H:31])[H:32])([H:34])[H:35])[S:18][C:9](=[C:8]2[C:6](=[O:7])[O:5][C:1]([H:2])([H:3])[H:4])[N:10]([H:17])[C:11](=[O:12])[C:13]([H:14])([Cl:15])[Cl:16])[C:22](=[O:23])[O:24][C:25]([H:26])([H:27])[H:28] | [
-2.2622311115264893,
-3.4036710262298584,
0.9907640218734741,
-1.7934989929199219,
-3.9445788860321045,
0.16596199572086334,
-1.8123669624328613,
-3.7371740341186523,
1.9284069538116455,
-3.336045026779175,
-3.570905923843384,
1.00033700466156,
-2.086668014526367,
-2.004884958267212,
0.8... | [
-1413628.75
] | [
2.6573574542999268,
-10.169508934020996,
0.9676714539527893,
-1.6058459281921387,
0.692881166934967,
1.7089709043502808,
-1.468074917793274,
0.19554544985294342,
-1.8662878274917603,
0.9904736280441284,
0.44933250546455383,
0.06620794534683228,
-0.7878096699714661,
8.880892753601074,
-0.... |
[H:14][C-:13]([Cl:15])[Cl:16].[H:29][C@@:21]1([C:20]2=[C:19]([C:33]([C:30]1([H:31])[H:32])([H:34])[H:35])[S:18][C:9](=[C:8]2[C:6](=[O:7])[O:5][C:1]([H:2])([H:3])[H:4])[N+:10](=[C:11]=[O:12])[H:17])[C:22](=[O:23])[O:24][C:25]([H:26])([H:27])[H:28] | [
-1.7003240585327148,
-3.496428966522217,
0.9929419755935669,
-0.9929419755935669,
-3.817594051361084,
1.759050965309143,
-2.634840965270996,
-3.6725070476531982,
1.0315680503845215,
-1.3012440204620361,
-4.0050368309021,
-0.018605999648571014,
-1.6998929977416992,
-2.261676073074341,
0.6... | [
-1413356.25
] | [
156.33499145507812,
-119.85794830322266,
-76.9144287109375,
-11.164562225341797,
7.117036819458008,
6.889122009277344,
-150.430419921875,
-56.78596878051758,
30.284317016601562,
-15.964705467224121,
-5.500921726226807,
51.37385940551758,
-49.848854064941406,
176.33534240722656,
1.2229266... |
[H:29][C@@:21]1([C:20]2=[C:19]([C:33]([C:30]1([H:31])[H:32])([H:34])[H:35])[S:18][C:9](=[C:8]2[C:6](=[O:7])[O:5][C:1]([H:2])([H:3])[H:4])[N:10]([H:17])[C:11](=[O:12])[C:13]([H:14])([Cl:15])[Cl:16])[C:22](=[O:23])[O:24][C:25]([H:26])([H:27])[H:28] | [
-2.237813949584961,
-3.533642053604126,
1.0033830404281616,
-3.2943549156188965,
-3.7293670177459717,
0.8385559916496277,
-1.6249910593032837,
-4.053847789764404,
0.26443400979042053,
-1.93914794921875,
-3.8593831062316895,
2.0020558834075928,
-2.0789198875427246,
-2.1285560131073,
0.877... | [
-1413629.125
] | [
2.0096359252929688,
-10.999910354614258,
0.31393900513648987,
1.2873533964157104,
0.445132315158844,
0.4153338074684143,
-2.2309088706970215,
0.7486515045166016,
1.6664129495620728,
-0.6415765881538391,
0.40332263708114624,
-1.8676550388336182,
-1.7081633806228638,
8.660271644592285,
-0.... |
[H+:14].[H:29][C@@:21]1([C:20]2=[C:19]([C:33]([C:30]1([H:31])[H:32])([H:34])[H:35])[S:18][C:9](=[C:8]2[C:6](=[O:7])[O:5][C:1]([H:2])([H:3])[H:4])[N:10]([H:17])[C:11](=[O:12])[C-:13]([Cl:15])[Cl:16])[C:22](=[O:23])[O:24][C:25]([H:26])([H:27])[H:28] | [
-0.5547590255737305,
-3.5621800422668457,
-0.6355379819869995,
0.5216280221939087,
-3.965188980102539,
-1.0195930004119873,
-0.7526450157165527,
-3.9091439247131348,
0.2036619931459427,
-1.2942850589752197,
-3.8087549209594727,
-1.5138859748840332,
-0.5006269812583923,
-2.3279709815979004,... | [
-1413302.125
] | [
68.20445251464844,
-162.00865173339844,
-258.5867919921875,
-58.270172119140625,
1.9660414457321167,
23.774715423583984,
-49.6800422668457,
-79.4117202758789,
177.6213836669922,
21.4885196685791,
-18.091960906982422,
45.921146392822266,
-55.514339447021484,
263.9916076660156,
21.20974922... |
[H:26][C-:25]([H:27])[H:28].[H:14][C-:13]([Cl:15])[Cl:16].[H:29][C@@:21]1([C:20]2=[C:8](/[C:9](=[N+:10](\[H:17])/[C:11]#[O+:12])/[S+:18]=[C:19]2[C:33]([C:30]1([H:31])[H:32])([H:34])[H:35])[C:6](=[O:7])[O:5][C:1]([H:2])([H:3])[H:4])[C:22](=[O:24])[O-:23] | [
-2.1600799560546875,
-3.673322916030884,
0.481346994638443,
-3.129944086074829,
-3.8581368923187256,
0.3655270040035248,
-1.5711560249328613,
-3.966618061065674,
-0.5324950218200684,
-1.7102340459823608,
-4.1916117668151855,
1.2408440113067627,
-2.02333402633667,
-2.443169116973877,
0.33... | [
-1413275.125
] | [
72.5219955444336,
-157.94309997558594,
-122.49590301513672,
-92.2345962524414,
-32.89301300048828,
-4.673679828643799,
-31.20557975769043,
-34.71254348754883,
44.561134338378906,
29.115720748901367,
-18.826589584350586,
53.76388168334961,
-58.2080078125,
254.34152221679688,
42.9054298400... |
[H+:34].[H:14][c:8]1[c:9]([c:10]([c:11]2[c:6]([c:7]1[H:15])[C:5](=[N:4][N:3]([C:2]2=[O:1])[C:17]([H:36])([H:37])[C:18]3=[N:19][N:20]([C:21](=[S:22])[N:23]3[C:24]4=[C-:25][C:26](=[C:27]([C:28](=[C:29]4[Cl:30])[H:31])[Cl:32])[H:33])[H:35])[H:16])[H:12])[H:13] | [
-0.7016010284423828,
-2.5118279457092285,
-0.6811119914054871,
0.2929059863090515,
-2.1014039516448975,
-0.05855200067162514,
0.05043099820613861,
-1.740291953086853,
1.2570769786834717,
0.8339449763298035,
-1.4342379570007324,
2.1548800468444824,
2.010261058807373,
-1.337820053100586,
1... | [
-1456749.25
] | [
26.989831924438477,
-13.04522705078125,
0.31180334091186523,
-158.62005615234375,
-1.8532651662826538,
14.329553604125977,
-204.138916015625,
-87.20343017578125,
-19.644023895263672,
46.36613464355469,
10.668485641479492,
45.84321975708008,
-13.802511215209961,
86.1422119140625,
465.6425... |
[H:14][c:8]1[c:9]([c:10]([c:11]2[c:6]([c:7]1[H:15])[C:5](=[N:4][N:3]([C:2]2=[O:1])[C:17]([H:36])([H:37])[C:18]3=[N:19][N:20]([C:21](=[S:22])[N:23]3[c:24]4[c:29]([c:28]([c:27]([c:26]([c:25]4[H:34])[Cl:33])[H:32])[Cl:31])[H:30])[H:35])[H:16])[H:12])[H:13] | [
-0.8226140141487122,
-2.4046859741210938,
-1.5312210321426392,
-0.8523960113525391,
-2.0171449184417725,
-0.377685010433197,
0.2709070146083832,
-2.124972105026245,
0.42851901054382324,
0.34869900345802307,
-1.7673269510269165,
1.7115010023117065,
-0.668175995349884,
-1.234570026397705,
... | [
-1457112.625
] | [
-5.495509624481201,
-0.14756238460540771,
-3.9338035583496094,
3.791233539581299,
-4.210500717163086,
-0.5162234902381897,
-6.62874174118042,
-3.1481876373291016,
-8.978877067565918,
6.16806697845459,
1.7557989358901978,
20.53166389465332,
5.623292446136475,
-2.7753632068634033,
-1.81687... |
[H:13][c:10]1[c:11]([c:6]([c:7]([n:8][c:9]1[H:14])[H:15])[C:5]([H:16])([H:17])[N:3]([H:4])[C:2](=[O:1])[C:18]2=[N:19][N:20]3[C:21](=[C:22]([C:23](=[N:24][C:25]3=[C:26]2[H:27])[c:28]4[c:29]([c:30]([c:31]5[c:32]([c:33]4[H:34])[O:35][C:36]([O:37]5)([H:38])[H:39])[H:40])[H:41])[H:42])[C:43]([F:44])([F:45])[F:46])[H:12] | [
-3.97761607170105,
-0.6252580285072327,
2.1328909397125244,
-3.385303020477295,
0.1984899938106537,
1.473837971687317,
-3.951641082763672,
1.34682297706604,
1.0247550010681152,
-3.439013957977295,
1.9392069578170776,
0.3909670114517212,
-5.364344120025635,
1.618541955947876,
1.2004510164... | [
-1008887.4375
] | [
-2.2307629585266113,
-8.055760383605957,
1.0610750913619995,
1.3186317682266235,
4.668232440948486,
-1.6833879947662354,
-0.8534199595451355,
7.431177616119385,
-1.3559235334396362,
1.5761126279830933,
-3.6106579303741455,
0.2312813550233841,
-2.517418622970581,
-1.3162494897842407,
2.08... |
[H:13][c:10]1[c:11]([c:6]([c:7]([n:8][c:9]1[H:14])[H:15])[C:5]([H:16])([H:17])[N:3]([H:4])[C:2](=[O:1])[C:18]2=[N:19][N:20]3[C:21](=[C:22]([C:23](=[N:24][C:25]3=[C:26]2[H:27])[c:28]4[c:29]([c:30]([c:31]5[c:32]([c:33]4[H:34])[O:35][C:36]([O:37]5)([H:38])[H:39])[H:40])[H:41])[H:42])[C:43]([F:44])([F:45])[F:46])[H:12] | [
-3.889085054397583,
-0.6899970173835754,
-2.1292169094085693,
-3.247847080230713,
0.1295509934425354,
-1.5119529962539673,
-3.7315471172332764,
1.3473550081253052,
-1.1589280366897583,
-3.188333034515381,
1.941781997680664,
-0.5532330274581909,
-5.113990783691406,
1.7144479751586914,
-1.... | [
-1008887.9375
] | [
-2.6848316192626953,
-7.798703670501709,
-0.5158523321151733,
1.3912277221679688,
4.527660369873047,
1.1324151754379272,
-0.17804984748363495,
7.490401268005371,
0.7898101806640625,
1.2250421047210693,
-3.73396897315979,
0.11451592296361923,
-2.54056453704834,
-1.1839771270751953,
-2.055... |
[H:13][c:10]1[c:11]([c:6]([c:7]([n:8][c:9]1[H:14])[H:15])[C:5]([H:16])([H:17])[N:3]([H:4])[C:2](=[O:1])[C:18]2=[N:19][N:20]3[C:21](=[C:22]([C:23](=[N:24][C:25]3=[C:26]2[H:27])[c:28]4[c:29]([c:30]([c:31]5[c:32]([c:33]4[H:34])[O:35][C:36]([O:37]5)([H:38])[H:39])[H:40])[H:41])[H:42])[C:43]([F:44])([F:45])[F:46])[H:12] | [
3.5310840606689453,
2.8023149967193604,
-0.9733110070228577,
3.2075181007385254,
1.6305220127105713,
-0.9517989754676819,
4.0628790855407715,
0.6005749702453613,
-1.113595962524414,
3.696824073791504,
-0.334524005651474,
-1.0135509967803955,
5.490296840667725,
0.7879329919815063,
-1.2484... | [
-1008893.4375
] | [
-2.4490773677825928,
5.617121696472168,
1.8828264474868774,
5.428081512451172,
-7.684518814086914,
-2.9945361614227295,
1.6347005367279053,
-5.149513244628906,
-2.3221566677093506,
-1.2137222290039062,
1.1973211765289307,
0.12183006852865219,
1.9856170415878296,
3.325556755065918,
0.8618... |
[H:35][c:27]1[c:28]([c:29]([c:30]([c:25]([c:26]1[H:36])[C:24](=[N:23][N:22]([H:38])[c:5]2[n:6][c:7]([n:8][c:3]([n:4]2)[N:2]([C:39]([H:40])([H:41])[H:42])[C:1]([H:43])([H:44])[H:45])[N:9]([H:21])[c:10]3[c:15]([c:14]([c:13]([c:12]([c:11]3[H:20])[H:19])[F:18])[H:17])[H:16])[H:37])[O:31][H:32])[H:33])[H:34] | [
-4.904360771179199,
-3.481801986694336,
0.009829999879002571,
-4.6573638916015625,
-2.062067985534668,
-0.0063240001909434795,
-3.4454729557037354,
-1.3751449584960938,
-0.0385890007019043,
-2.4682059288024902,
-2.288986921310425,
-0.11801599711179733,
-1.3379780054092407,
-1.7867180109024... | [
-787197.875
] | [
-100.87869262695312,
41.39781951904297,
-86.10508728027344,
-108.41641235351562,
29.383535385131836,
6.554438591003418,
-135.90109252929688,
-169.13551330566406,
-23.321367263793945,
-101.83695983886719,
-51.385047912597656,
-17.93294334411621,
-300.3730163574219,
374.8611145019531,
13.4... |
[H:35][c:27]1[c:28]([c:29]([c:30]([c:25]([c:26]1[H:36])/[C:24](=[N:23]/[N:22]([H:38])[c:5]2[n:6][c:7]([n:8][c:3]([n:4]2)[N:2]([C:39]([H:40])([H:41])[H:42])[C:1]([H:43])([H:44])[H:45])[N:9]([H:21])[c:10]3[c:15]([c:14]([c:13]([c:12]([c:11]3[H:20])[H:19])[F:18])[H:17])[H:16])/[H:37])[O:31][H:32])[H:33])[H:34] | [
-5.806128978729248,
-2.0898239612579346,
-0.0490569993853569,
-5.223886013031006,
-0.7804269790649414,
0.07968399673700333,
-3.8986730575561523,
-0.5933560132980347,
0.027646999806165695,
-3.1173810958862305,
-1.6660209894180298,
-0.1477389931678772,
-1.8111040592193604,
-1.419275045394897... | [
-787621.25
] | [
-0.09038565307855606,
-5.971347808837891,
-0.6366993188858032,
-3.8868248462677,
-0.4733370542526245,
0.13804972171783447,
14.078131675720215,
1.4983525276184082,
-0.3429180979728699,
0.14752918481826782,
-6.137068748474121,
-0.5369053483009338,
-9.390027046203613,
9.526363372802734,
-0.... |
[H:35][c:27]1[c:28]([c:29]([c:30]([c:25]([c:26]1[H:36])[C:24](=[N:23][N:22]([H:38])[c:5]2[n:6][c:7]([n:8][c:3]([n:4]2)[N:2]([C:39]([H:40])([H:41])[H:42])[C:1]([H:43])([H:44])[H:45])[N:9]([H:21])[c:10]3[c:15]([c:14]([c:13]([c:12]([c:11]3[H:20])[H:19])[F:18])[H:17])[H:16])[H:37])[O:31][H:32])[H:33])[H:34] | [
0.45852699875831604,
3.600663900375366,
0.04828700050711632,
-0.6399580240249634,
2.799776077270508,
-0.10532400012016296,
-0.5824999809265137,
1.5623890161514282,
-0.09473299980163574,
0.5229049921035767,
0.8670819997787476,
-0.07158699631690979,
0.4852829873561859,
-0.5987319946289062,
... | [
-787107.875
] | [
-105.4763412475586,
102.64768981933594,
-41.40241622924805,
-162.40496826171875,
104.06961059570312,
19.2110652923584,
-96.1829605102539,
-236.19715881347656,
-11.448497772216797,
16.287343978881836,
-30.105634689331055,
-31.096506118774414,
-356.3965759277344,
258.0643005371094,
19.1945... |
[H:35][c:27]1[c:28]([c:29]([c:30]([c:25]([c:26]1[H:36])/[C:24](=[N:23]/[N:22]([H:38])[c:5]2[n:6][c:7]([n:8][c:3]([n:4]2)[N:2]([C:39]([H:40])([H:41])[H:42])[C:1]([H:43])([H:44])[H:45])[N:9]([H:21])[c:10]3[c:15]([c:14]([c:13]([c:12]([c:11]3[H:20])[H:19])[F:18])[H:17])[H:16])/[H:37])[O:31][H:32])[H:33])[H:34] | [
-0.842972993850708,
-3.2527809143066406,
0.10493200272321701,
0.41387099027633667,
-2.562408924102783,
-0.015421000309288502,
0.4885700047016144,
-1.2243980169296265,
-0.011013999581336975,
-0.6610699892044067,
-0.5356529951095581,
0.013620000332593918,
-0.5260890126228333,
0.7830219864845... | [
-787616.6875
] | [
-5.836972713470459,
-0.6065581440925598,
0.123553067445755,
-0.3115970194339752,
-3.4713404178619385,
-0.30744069814682007,
1.7662839889526367,
14.245890617370605,
-0.2476753294467926,
-9.829055786132812,
-0.7915651798248291,
-0.25178536772727966,
13.738632202148438,
-3.941741466522217,
... |
[H:39][c:7]1[c:8]([c:9]([c:10]([c:11]([c:6]1[O:5][C:1]([H:2])([H:3])[H:4])[N:12]([H:35])[C:13](=[O:14])[C:15]([H:16])([H:17])[S:18][C:19]2=[C:20]([C:23]3=[C:24]([S:34]2)[C:25](=[C:26]([C:27](=[O:28])[N:29]3[H:30])[H:31])[O:32][H:33])[C:21]#[N:22])[H:36])[Cl:37])[H:38] | [
-1.3021960258483887,
-4.2895002365112305,
0.992929995059967,
-2.3176419734954834,
-4.545400142669678,
1.2904499769210815,
-0.8380280137062073,
-5.154177188873291,
0.5101190209388733,
-0.7243239879608154,
-4.004578113555908,
1.8766759634017944,
-1.43150794506073,
-3.2079250812530518,
0.09... | [
-1491503
] | [
-1.109197974205017,
-4.049316883087158,
3.456350564956665,
2.182316303253174,
-0.7984986901283264,
0.35841795802116394,
0.10917024314403534,
1.053360104560852,
0.3966358006000519,
0.20322482287883759,
-0.11756467074155807,
-0.6028690338134766,
1.4528905153274536,
7.905612945556641,
-6.99... |
[H:39][c:7]1[c:8]([c:9]([c:10]([c:11]([c:6]1[O:5][C:1]([H:2])([H:3])[H:4])[N:12]([H:35])[C:13](=[O:14])[C:15]([H:16])([H:17])[S:18][C:19]2=[C:20]([C:23]3=[C:24]([S:34]2)[C:25](=[C:26]([C:27](=[O:28])[N:29]3[H:30])[H:31])[O:32][H:33])[C:21]#[N:22])[H:36])[Cl:37])[H:38] | [
0.0162189994007349,
1.5977259874343872,
-1.5411150455474854,
0.10384500026702881,
2.5840721130371094,
-1.1739180088043213,
0.6079829931259155,
1.7333170175552368,
-2.631511926651001,
-1.0011680126190186,
1.2127809524536133,
-1.7792789936065674,
0.6223840117454529,
0.47916001081466675,
-0... | [
-1491136.375
] | [
14.816927909851074,
-40.45808029174805,
-120.67623138427734,
-3.1795952320098877,
16.611066818237305,
34.680084228515625,
-40.86063766479492,
-7.691999912261963,
54.5431022644043,
13.884847640991211,
19.665483474731445,
6.8348164558410645,
-41.29226303100586,
33.37613296508789,
25.164403... |
[H:39][c:7]1[c:8]([c:9]([c:10]([c:11]([c:6]1[O:5][C:1]([H:2])([H:3])[H:4])[N:12]([H:35])[C:13](=[O:14])[C:15]([H:16])([H:17])[S:18][C:19]2=[C:20]([C:23]3=[C:24]([S:34]2)[C:25](=[C:26]([C:27](=[O:28])[N:29]3[H:30])[H:31])[O:32][H:33])[C:21]#[N:22])[H:36])[Cl:37])[H:38] | [
-0.13387100398540497,
-1.3478749990463257,
1.936561942100525,
-1.1292359828948975,
-0.9433509707450867,
2.110119104385376,
-0.2191700041294098,
-2.369649887084961,
1.5509510040283203,
0.41714000701904297,
-1.3503220081329346,
2.8798210620880127,
0.471329003572464,
-0.4914569854736328,
0.... | [
-1491499.25
] | [
-2.8123347759246826,
-3.3631842136383057,
3.105468511581421,
1.151274561882019,
-1.0134003162384033,
0.05913333594799042,
0.46982109546661377,
0.5607083439826965,
0.8764367699623108,
0.2427956759929657,
-0.07752186805009842,
-0.3604978919029236,
8.789520263671875,
0.10068094730377197,
-7... |
[H:39][c:7]1[c:8]([c:9]([c:10]([c:11]([c:6]1[O:5][C:1]([H:2])([H:3])[H:4])[N:12]([H:35])[C:13](=[O:14])[C:15]([H:16])([H:17])[S:18][C:19]2=[C:20]([C:23]3=[C:24]([S:34]2)[C:25](=[C:26]([C:27](=[O:28])[N:29]3[H:30])[H:31])[O:32][H:33])[C:21]#[N:22])[H:36])[Cl:37])[H:38] | [
-0.08650100231170654,
-2.9090800285339355,
-0.9564380049705505,
0.8496130108833313,
-2.7536609172821045,
-1.489637017250061,
0.11908499896526337,
-3.343066930770874,
0.02676999941468239,
-0.7201939821243286,
-3.5882270336151123,
-1.5331569910049438,
-0.6709799766540527,
-1.6321289539337158... | [
-1491501
] | [
3.409761905670166,
-4.837962627410889,
-0.4847849905490875,
-0.6259439587593079,
-1.8031084537506104,
1.0049583911895752,
-0.7713326811790466,
0.4128281772136688,
-0.7152575850486755,
-0.1666315793991089,
0.4843272566795349,
0.5342360734939575,
-9.991360664367676,
8.206391334533691,
2.46... |
[H:39][c:7]1[c:8]([c:9]([c:10]([c:11]([c:6]1[O:5][C:1]([H:2])([H:3])[H:4])[N:12]([H:35])[C:13](=[O:14])[C:15]([H:16])([H:17])[S:18][C:19]2=[C:20]([C:23]3=[C:24]([S:34]2)[C:25](=[C:26]([C:27](=[O:28])[N:29]3[H:30])[H:31])[O:32][H:33])[C:21]#[N:22])[H:36])[Cl:37])[H:38] | [
-0.38413798809051514,
-0.6116309762001038,
3.1140620708465576,
-1.2439069747924805,
-0.017085999250411987,
3.419145107269287,
-0.7240639925003052,
-1.5824990272521973,
2.7405049800872803,
0.27750900387763977,
-0.7594599723815918,
3.97149395942688,
0.25176799297332764,
0.1342799961566925,
... | [
-1491504.625
] | [
-3.934156894683838,
-2.210451126098633,
4.812954902648926,
1.269395351409912,
-2.156637191772461,
0.6612363457679749,
0.826478123664856,
0.295487642288208,
0.003403306473046541,
-0.11132487654685974,
-0.2356926053762436,
-0.6614972352981567,
10.140783309936523,
3.7630560398101807,
-7.544... |
[H:39][c:7]1[c:8]([c:9]([c:10]([c:11]([c:6]1[O:5][C:1]([H:2])([H:3])[H:4])[N:12]([H:35])[C:13](=[O:14])[C:15]([H:16])([H:17])[S:18]#[C:19][C:20](=[C:23]2[C:24](=[S:34])[C:25](=[C:26]([C:27](=[O:28])[N:29]2[H:30])[H:31])[O:32][H:33])[C:21]#[N:22])[H:36])[Cl:37])[H:38] | [
2.169420003890991,
3.929610013961792,
-0.3524639904499054,
1.8637499809265137,
4.753562927246094,
0.13729999959468842,
3.3403029441833496,
4.180912971496582,
-0.634643018245697,
1.66463303565979,
3.8186469078063965,
-1.4273780584335327,
2.060110092163086,
2.540041923522949,
0.12887300550... | [
-1491087.125
] | [
68.95703125,
-89.30695343017578,
-143.52149963378906,
-38.52973175048828,
48.41053771972656,
58.45329284667969,
-65.26171875,
-27.525653839111328,
22.01850128173828,
22.18605613708496,
23.762374877929688,
52.19621658325195,
-51.731040954589844,
56.611854553222656,
32.11373519897461,
34... |
[H:27][c:18]1[c:19]([c:20]([c:21]([c:22]([c:17]1[N:16]([H:28])[C:14](=[O:15])[C:13]([H:29])([H:30])[S:12][c:4]2[n:5][c:6]([c:10]([c:2]([n:3]2)[N:1]([H:31])[H:32])[H:11])[N:7]([H:8])[H:9])[Cl:23])[H:24])[Br:25])[H:26] | [
1.3041889667510986,
3.7532849311828613,
-1.1321909427642822,
1.9237669706344604,
2.522761106491089,
-0.9502779841423035,
1.3916740417480469,
1.6002780199050903,
-1.6608129739761353,
1.7480570077896118,
0.2851249873638153,
-1.3604240417480469,
2.6320269107818604,
-0.15753300487995148,
-0.... | [
-2663802.5
] | [
-47.12322998046875,
42.48459243774414,
-89.73017883300781,
-73.82234191894531,
60.04676055908203,
-48.139766693115234,
-22.96586799621582,
-108.2761459350586,
-29.262462615966797,
-62.347381591796875,
52.92609786987305,
-86.87751770019531,
69.6669921875,
91.18701934814453,
130.6228485107... |
[H+:23].[H:22][C:14]1=[C:15]([C:16](=[C:17]([C:12](=[C-:13]1)[C:11]2=[C:10]([C:9](=[C:8]([O:24]2)[C:7](=[C:6]3[C:28](=[O:29])[N:30]([C:2](=[O:1])[N:3]([C:4]3=[O:5])[H:32])[H:31])[H:27])[H:26])[H:25])[O:18][H:19])[H:20])[F:21] | [
-6.866880893707275,
-0.07889699935913086,
0.06145299971103668,
-5.561737060546875,
-0.13923600316047668,
-0.02633499912917614,
-4.853086948394775,
-1.2201789617538452,
-0.05919099971652031,
-3.5829710960388184,
-1.503262996673584,
-0.05892400071024895,
-3.138762950897217,
-2.76281404495239... | [
-729231.8125
] | [
109.90933990478516,
-24.545934677124023,
-17.22998046875,
-184.82151794433594,
37.68568801879883,
23.935653686523438,
-146.46859741210938,
-219.05398559570312,
-22.96799659729004,
31.351409912109375,
-160.19691467285156,
-22.95345115661621,
-48.0064697265625,
137.06436157226562,
18.28463... |
[H:23][c:22]1[c:21]([n:20][c:19]([c:18]([c:17]1/[C:2](=[N:3]/[N:4]([H:16])[c:5]2[c:6]([c:7]([c:8]([c:9]([c:10]2[F:11])[F:12])[Br:13])[F:14])[F:15])/[C:1]([H:27])([H:28])[H:29])[H:26])[H:25])[H:24] | [
3.7255969047546387,
2.5719149112701416,
0.22623999416828156,
3.404881000518799,
1.1067270040512085,
0.10392100363969803,
2.2271111011505127,
0.6142740249633789,
0.050586998462677,
1.1289559602737427,
1.3734220266342163,
0.06852199882268906,
-0.12005600333213806,
0.829738974571228,
0.0422... | [
-2282804.25
] | [
-4.517572402954102,
-3.7796101570129395,
-1.4842720031738281,
-11.995012283325195,
12.768230438232422,
1.3093254566192627,
8.508615493774414,
-12.525142669677734,
-2.770756244659424,
9.661225318908691,
32.2232780456543,
2.7408971786499023,
-20.937923431396484,
-13.604155540466309,
-0.609... |
[H:31][C:30]1=[N:29][N:28]=[C:27]([N:26]1[N:25]([H:33])[c:23]2[n:24][c:7]([n:8][c:9]([n:22]2)[N:10]([H:11])[C:12]([H:21])([C:13]([H:14])([H:15])[H:16])[C:17]([H:18])([H:19])[H:20])[N:6]([H:34])[C:5]([H:35])([H:36])[C:1]([H:2])([H:3])[H:4])[H:32] | [
2.324892997741699,
3.638245105743408,
-1.0509979724884033,
3.3999860286712646,
3.7930729389190674,
-1.0472160577774048,
2.0771570205688477,
2.9416580200195312,
-1.8479490280151367,
1.8356469869613647,
4.588965892791748,
-1.2539019584655762,
1.876376986503601,
3.07690691947937,
0.29541999... | [
-554774
] | [
-1.2207446098327637,
-3.1736044883728027,
5.697022438049316,
2.9681336879730225,
1.4573278427124023,
-1.1500282287597656,
-0.2739377021789551,
-1.2266998291015625,
-2.277292251586914,
-0.38834333419799805,
2.2815136909484863,
-1.3847283124923706,
7.393521785736084,
2.55436635017395,
-2.4... |
[H:31][C:30]1=[N:29][N:28]=[C:27]([N:26]1[N:25]([H:33])[c:23]2[n:24][c:7]([n:8][c:9]([n:22]2)[N:10]([H:11])[C:12]([H:21])([C:13]([H:14])([H:15])[H:16])[C:17]([H:18])([H:19])[H:20])[N:6]([H:34])[C:5]([H:35])([H:36])[C:1]([H:2])([H:3])[H:4])[H:32] | [
-5.154852867126465,
-1.0330090522766113,
-1.1632089614868164,
-5.780125141143799,
-1.9212989807128906,
-1.1851309537887573,
-5.76540994644165,
-0.1717280000448227,
-1.4264370203018188,
-4.368165016174316,
-1.1405730247497559,
-1.905668020248413,
-4.5453619956970215,
-0.8550390005111694,
... | [
-554777.75
] | [
3.0522725582122803,
-0.09644994139671326,
6.1908063888549805,
-2.5214290618896484,
-2.064826250076294,
-1.2453337907791138,
-1.7819854021072388,
1.3523494005203247,
-1.6278536319732666,
1.3814494609832764,
-0.3414393663406372,
-2.2792015075683594,
-4.900387763977051,
-5.537479400634766,
... |
[H:31][C:30]1=[N:29][N:28]=[C:27]([N:26]1[N:25]([H:33])[c:23]2[n:24][c:7]([n:8][c:9]([n:22]2)[N:10]([H:11])[C:12]([H:21])([C:13]([H:14])([H:15])[H:16])[C:17]([H:18])([H:19])[H:20])[N:6]([H:34])[C:5]([H:35])([H:36])[C:1]([H:2])([H:3])[H:4])[H:32] | [
2.3181729316711426,
3.6310911178588867,
-0.8277279734611511,
3.3949270248413086,
3.773542881011963,
-0.8218119740486145,
2.061913013458252,
2.9565439224243164,
-1.6406970024108887,
1.8387880325317383,
4.5912861824035645,
-1.0080909729003906,
1.8638960123062134,
3.042593002319336,
0.50562... | [
-554775.4375
] | [
-1.1870626211166382,
-2.9845359325408936,
6.089539527893066,
3.098724603652954,
1.4387685060501099,
-1.1469972133636475,
-0.445129930973053,
-1.2895578145980835,
-2.6097335815429688,
-0.38484281301498413,
2.201922655105591,
-1.4697943925857544,
7.449489116668701,
2.162951707839966,
-2.72... |
[H:31][C:30]1=[N:29][N:28]=[C:27]([N:26]1[N:25]([H:33])[c:23]2[n:24][c:7]([n:8][c:9]([n:22]2)[N:10]([H:11])[C:12]([H:21])([C:13]([H:14])([H:15])[H:16])[C:17]([H:18])([H:19])[H:20])[N:6]([H:34])[C:5]([H:35])([H:36])[C:1]([H:2])([H:3])[H:4])[H:32] | [
-5.340053081512451,
-1.0283819437026978,
0.8339160084724426,
-5.945631980895996,
-1.9302300214767456,
0.8545780181884766,
-4.703750133514404,
-1.0139390230178833,
1.7150919437408447,
-6.001527786254883,
-0.1651410013437271,
0.8681349754333496,
-4.486264228820801,
-1.0003340244293213,
-0.... | [
-554775
] | [
4.118696689605713,
-0.7192360162734985,
-5.376841068267822,
-2.6559746265411377,
-1.9469130039215088,
1.0288301706314087,
0.8923362493515015,
0.04133297875523567,
2.525813102722168,
-2.115095615386963,
1.4757673740386963,
1.138808012008667,
-5.307649612426758,
-5.34705924987793,
2.368800... |
[H:31][C:30]1=[N:29][N:28]=[C:27]([N:26]1[N:25]([H:33])[c:23]2[n:24][c:7]([n:8][c:9]([n:22]2)[N:10]([H:11])[C:12]([H:21])([C:13]([H:14])([H:15])[H:16])[C:17]([H:18])([H:19])[H:20])[N:6]([H:34])[C:5]([H:35])([H:36])[C:1]([H:2])([H:3])[H:4])[H:32] | [
-5.222651958465576,
-1.1519010066986084,
-0.9292010068893433,
-4.5025410652160645,
-1.1988389492034912,
-1.7421770095825195,
-5.817028045654297,
-2.0613770484924316,
-0.9354760050773621,
-5.883174896240234,
-0.30388501286506653,
-1.098006010055542,
-4.496201992034912,
-1.0094549655914307,
... | [
-554775.3125
] | [
3.614131212234497,
-0.18545766174793243,
5.840519428253174,
1.1281319856643677,
-0.21074293553829193,
-2.4401659965515137,
-2.545520305633545,
-2.1177210807800293,
-1.127064824104309,
-1.9624981880187988,
1.358171820640564,
-1.4102269411087036,
-4.958017349243164,
-5.586149215698242,
-2.... |
[H:31][C:30]1=[N:29][N:28]=[C:27]([N:26]1[N:25]([H:33])[c:23]2[n:24][c:7]([n:8][c:9]([n:22]2)[N:10]([H:11])[C:12]([H:21])([C:13]([H:14])([H:15])[H:16])[C:17]([H:18])([H:19])[H:20])[N:6]([H:34])[C:5]([H:35])([H:36])[C:1]([H:2])([H:3])[H:4])[H:32] | [
-2.332451105117798,
-3.603559970855713,
-0.8994500041007996,
-1.8807649612426758,
-2.9939370155334473,
-1.81004798412323,
-1.7893270254135132,
-4.505497932434082,
-1.1122030019760132,
-3.409001111984253,
-3.720629930496216,
-1.0732619762420654,
-1.9618949890136719,
-3.151470899581909,
0.... | [
-554440.125
] | [
-54.14980697631836,
-107.35464477539062,
-339.6266174316406,
-27.579748153686523,
-12.567883491516113,
36.605247497558594,
-6.136631011962891,
-33.59975814819336,
-7.512939929962158,
9.702496528625488,
-1.4630743265151978,
3.606158971786499,
3.802581787109375,
249.5928497314453,
375.7042... |
[H:31][C:30]1=[N:29][N:28]=[C:27]([N:26]1[N:25]([H:33])[c:23]2[n:24][c:7]([n:8][c:9]([n:22]2)[N:10]([H:11])[C:12]([H:21])([C:13]([H:14])([H:15])[H:16])[C:17]([H:18])([H:19])[H:20])[N:6]([H:34])[C:5]([H:35])([H:36])[C:1]([H:2])([H:3])[H:4])[H:32] | [
-5.2163591384887695,
-1.086230993270874,
0.9952930212020874,
-5.882771968841553,
-0.22993099689483643,
1.0762460231781006,
-5.806280136108398,
-1.9944959878921509,
1.081855058670044,
-4.5046257972717285,
-1.0518330335617065,
1.816230058670044,
-4.476759910583496,
-1.0670299530029297,
-0.... | [
-554773.9375
] | [
3.6496939659118652,
-0.7517192363739014,
-5.749638080596924,
-1.9758707284927368,
1.4677250385284424,
1.2409356832504272,
-2.5431342124938965,
-2.015369176864624,
1.306958556175232,
1.1035487651824951,
0.040071263909339905,
2.4472570419311523,
-4.937306880950928,
-5.3173604011535645,
3.0... |
[H:43][c:38]1[c:39]([c:40]([c:35]([c:36]([c:37]1[H:44])[H:45])[N:15]2[C:14](=[C:13]([C:17](=[N:16]2)[c:18]3[c:23]([c:22]([c:21]4[c:20]([c:19]3[H:34])[O:30][C:28]([C:27]([O:26]4)([H:32])[H:33])([H:29])[H:31])[H:25])[H:24])/[C:12](=[C:11](\[H:48])/[C:9](=[O:10])[N:8]5[C:49]([C:50]([N+:2]([C:4]([C:7]5([H:55])[H:56])([H:5]... | [
-5.9941020011901855,
-1.1042799949645996,
0.24129599332809448,
-4.694643020629883,
-1.7729820013046265,
0.18540599942207336,
-4.190561771392822,
-1.549942970275879,
-0.7637979984283447,
-4.779407024383545,
-3.2464780807495117,
0.1829809993505478,
-5.026045799255371,
-3.5935840606689453,
... | [
-886891.375
] | [
-13.791229248046875,
6.6908278465271,
0.48389917612075806,
3.9421980381011963,
1.973733901977539,
-13.130470275878906,
-6.973844528198242,
-1.552842140197754,
15.276253700256348,
1.9377917051315308,
-13.865509033203125,
-2.6496388912200928,
-1.0757791996002197,
2.9299964904785156,
-0.892... |
[H:43][c:38]1[c:39]([c:40]([c:35]([c:36]([c:37]1[H:44])[H:45])[N:15]2[C:14](=[C:13]([C:17](=[N:16]2)[c:18]3[c:23]([c:22]([c:21]4[c:20]([c:19]3[H:34])[O:30][C:28]([C:27]([O:26]4)([H:32])[H:33])([H:29])[H:31])[H:25])[H:24])/[C:12](=[C:11](\[H:48])/[C:9](=[O:10])[N+:8](=[C:49]([H:53])[H:54])[C:7]([H:55])([H:56])[C:4]([H:5... | [
-6.123437881469727,
-3.1400959491729736,
1.3648669719696045,
-5.182273864746094,
-2.309946060180664,
0.4213719964027405,
-4.240349769592285,
-2.735630989074707,
0.13780200481414795,
-4.892823219299316,
-1.0651580095291138,
1.0628869533538818,
-5.8179121017456055,
-0.7324680089950562,
1.3... | [
-886214.125
] | [
-58.71427917480469,
-17.550182342529297,
-138.37461853027344,
-129.49440002441406,
-22.963298797607422,
-4.553603649139404,
-10.06942081451416,
-25.18413543701172,
-9.308204650878906,
-42.044219970703125,
-140.26023864746094,
143.7648468017578,
-54.09662628173828,
28.54804229736328,
32.7... |
[H:43][c:38]1[c:39]([c:40]([c:35]([c:36]([c:37]1[H:44])[H:45])[N:15]2[C:14](=[C:13]([C:17](=[N:16]2)[c:18]3[c:23]([c:22]([c:21]4[c:20]([c:19]3[H:34])[O:30][C:28]([C:27]([O:26]4)([H:32])[H:33])([H:29])[H:31])[H:25])[H:24])/[C:12](=[C:11](\[H:48])/[C:9](=[O:10])[N:8]5[C:49]([C:50]([N+:2]([C:4]([C:7]5([H:55])[H:56])([H:5]... | [
-6.644266128540039,
-0.2602880001068115,
-1.4768580198287964,
-5.702616214752197,
-1.0181909799575806,
-0.6543740034103394,
-4.837680816650391,
-0.37893399596214294,
-0.35102298855781555,
-5.129673004150391,
-2.176071882247925,
-1.3778949975967407,
-5.940918922424316,
-2.7654380798339844,
... | [
-886891.1875
] | [
-9.659669876098633,
7.73314094543457,
-8.317825317382812,
10.120806694030762,
10.606376647949219,
4.513611793518066,
-12.750008583068848,
-10.841903686523438,
-6.5851545333862305,
8.183426856994629,
-12.56711196899414,
-5.4576735496521,
-0.35001999139785767,
3.252261161804199,
0.03893050... |
[H+:48].[H:43][c:38]1[c:39]([c:40]([c:35]([c:36]([c:37]1[H:44])[H:45])[N:15]2[C:14](=[C:13]([C:17](=[N:16]2)[c:18]3[c:23]([c:22]([c:21]4[c:20]([c:19]3[H:34])[O:30][C:28]([C:27]([O:26]4)([H:32])[H:33])([H:29])[H:31])[H:25])[H:24])/[C:12](=[C-:11]/[C:9](=[O:10])[N:8]5[C:49]([C:50]([N+:2]([C:4]([C:7]5([H:55])[H:56])([H:5]... | [
-6.581830024719238,
-0.37946799397468567,
1.4915889501571655,
-5.51607608795166,
-1.1562620401382446,
0.6152849793434143,
-4.656516075134277,
-0.4090549945831299,
0.269353985786438,
-6.1594109535217285,
-1.6948449611663818,
-0.6763820052146912,
-6.83853816986084,
-2.694477081298828,
-0.5... | [
-886356.0625
] | [
-90.21930694580078,
-11.599688529968262,
-263.68994140625,
-161.1020965576172,
95.74290466308594,
-9.762566566467285,
-18.641769409179688,
-32.4528923034668,
8.32073974609375,
-126.35694122314453,
-16.327167510986328,
106.07061767578125,
20.246997833251953,
55.037410736083984,
29.8729763... |
[H+:48].[H:43][c:38]1[c:39]([c:40]([c:35]([c:36]([c:37]1[H:44])[H:45])[N:15]2[C:14](=[C:13]([C:17](=[N:16]2)[c:18]3[c:23]([c:22]([c:21]([c:20]([c:19]3[H:34])[O:30][C-:28]([H:29])[H:31])[O+:26]=[C:27]([H:32])[H:33])[H:25])[H:24])/[C:12](=[C-:11]/[C:9](=[O:10])[N+:8](=[C:7]([H:55])[H:56])[C:49]([H:53])([H:54])[C:50]([H:5... | [
5.501002788543701,
3.294635057449341,
-1.622817039489746,
4.876396179199219,
2.5713729858398438,
-0.6613370180130005,
3.901911973953247,
3.142565965652466,
-0.5071629881858826,
5.431286811828613,
2.6074109077453613,
0.6371380090713501,
6.262062072753906,
1.7894259691238403,
0.51701498031... | [
-886290
] | [
-66.59182739257812,
-1.6952829360961914,
-124.35985565185547,
-193.28587341308594,
29.901988983154297,
62.842552185058594,
27.751604080200195,
-27.656919479370117,
3.3724477291107178,
17.660140991210938,
-113.4256362915039,
63.375003814697266,
-18.21351432800293,
43.62275695800781,
26.11... |
[H:9][c:6]1[c:7]([c:2]([c:3]([c:4]([c:5]1[C:10]2=[C:11]([S:12][C:13](=[N:14]2)[N:15]3[C:22]([C:21]([S:20][C:17]([C:16]3([H:27])[H:28])([H:18])[H:19])([H:25])[H:26])([H:23])[H:24])[H:29])[H:30])[H:31])[F:1])[H:8] | [
-6.070528030395508,
-1.3315269947052002,
0.1588210016489029,
-4.8342437744140625,
-0.7898589968681335,
0.11026199907064438,
-3.7600700855255127,
-1.5909620523452759,
-0.23279599845409393,
-2.5009169578552246,
-1.0275640487670898,
-0.27931201457977295,
-2.30826997756958,
0.3234899938106537,... | [
-946879.625
] | [
2.3656489849090576,
1.2289648056030273,
-0.08281537145376205,
3.3652842044830322,
0.12199489772319794,
-0.43682920932769775,
-8.063907623291016,
0.7278213500976562,
1.3589129447937012,
0.7574716210365295,
5.596898555755615,
1.2997725009918213,
-9.834827423095703,
-5.955705642700195,
-0.1... |
[H+:16].[H+:27].[H:26][C:25]1=[C-:24][C:23](=[C:22]([C:21](=[C:20]1[C:19]([H:31])([H:32])[C:3]2=[C:4]([C-:5]=[C:6]([N:7]([C:2]2=[O:1])[C:8]([H:13])([H:14])[C:9]([F:10])([F:11])[F:12])[H:15])[O:17][H:18])[Cl:30])[H:29])[Cl:28] | [
1.673069953918457,
0.07943999767303467,
-1.9792909622192383,
1.7456979751586914,
0.7178919911384583,
-1.031129002571106,
0.6138299703598022,
1.5465279817581177,
-0.5673350095748901,
0.5631330013275146,
2.1107490062713623,
0.6191800236701965,
1.7493070363998413,
1.9999229907989502,
1.2333... | [
-1232662.5
] | [
9.624879837036133,
-97.73255157470703,
-154.66409301757812,
-115.62635803222656,
116.86129760742188,
143.73406982421875,
-78.83995819091797,
-21.419771194458008,
-104.8923568725586,
-50.2893180847168,
-10.506360054016113,
-27.487133026123047,
-192.3196563720703,
255.0338592529297,
295.00... |
[H:26][c:25]1[c:24]([c:23]([c:22]([c:21]([c:20]1[C:19]([H:31])([H:32])[C:3]2=[C:4]([C:5](=[C:6]([N:7]([C:2]2=[O:1])[C:8]([H:13])([H:14])[C:9]([F:10])([F:11])[F:12])[H:15])[H:16])[O:17][H:18])[Cl:30])[H:29])[Cl:28])[H:27] | [
-1.8094769716262817,
-0.4969170093536377,
-2.0942189693450928,
-1.6017919778823853,
-0.9285560250282288,
-0.9718120098114014,
-0.342070996761322,
-1.4369499683380127,
-0.4986400008201599,
-0.2129260003566742,
-1.9398590326309204,
0.7687690258026123,
-1.337453007698059,
-1.966649055480957,
... | [
-1232914.375
] | [
2.059340715408325,
3.7048962116241455,
-7.6457600593566895,
-2.9241018295288086,
-5.701714515686035,
6.923157691955566,
7.894758701324463,
-6.217657089233398,
-0.4692293703556061,
-9.145686149597168,
4.627965450286865,
-12.14698600769043,
0.3649565875530243,
0.011904457584023476,
2.80998... |
[H:30]/[C-:28]=[C:29]\1/[C:24](=[C:25](/[H:33])\[C:26](=[C-:27]\[H:31])\[H:32])/[C:23](=[N+:22]=[N+:21]=[C:20]1[S+:19]=[C:16]([H:17])[H:18])[c:34]2[c:39]([c:38]([c:37]([c:36]([c:35]2[H:44])[H:43])[F:42])[H:41])[H:40].[H:13][c:6]1[c:5]([c:4]([c:9]([c:8]([c:7]1[H:12])[Cl:11])[H:10])[N:3]([H:15])[C-:2]=[O:1])[H:14] | [
-1.9300249814987183,
-1.9576970338821411,
-1.4848259687423706,
-1.991307020187378,
-2.4426729679107666,
-0.47429999709129333,
-1.019798994064331,
-2.9847071170806885,
0.22565799951553345,
0.25248900055885315,
-2.872509002685547,
0.14386700093746185,
1.0302979946136475,
-3.5099680423736572,... | [
-1282851.75
] | [
10.781983375549316,
84.92000579833984,
-182.40158081054688,
-108.81505584716797,
-53.37814712524414,
138.04141235351562,
-142.01145935058594,
-76.05171966552734,
77.63228607177734,
84.83816528320312,
22.29467010498047,
-58.57189178466797,
-67.70135498046875,
-13.345917701721191,
88.28762... |
[H:32][c:26]1[c:27]([c:28]([c:29]2[c:24]([c:25]1[H:33])[c:23]([n:22][n:21][c:20]2[S:19][C:16]([H:17])([H:18])[C:2](=[O:1])[N:3]([H:15])[c:4]3[c:5]([c:6]([c:7]([c:8]([c:9]3[H:10])[Cl:11])[H:12])[H:13])[H:14])[c:34]4[c:39]([c:38]([c:37]([c:36]([c:35]4[H:44])[H:43])[F:42])[H:41])[H:40])[H:30])[H:31] | [
-2.802593946456909,
-2.9413230419158936,
-1.0857709646224976,
-3.0228168964385986,
-1.8810089826583862,
-0.7303130030632019,
-2.6851439476013184,
-1.3140369653701782,
0.4960469901561737,
-1.5527770519256592,
-1.665308952331543,
1.1079570055007935,
-0.877564013004303,
-2.9972219467163086,
... | [
-1282957.875
] | [
40.66445541381836,
-124.12474822998047,
-55.66929244995117,
-104.39130401611328,
135.5408935546875,
64.80281066894531,
-60.009891510009766,
-59.5507926940918,
-65.83916473388672,
18.474590301513672,
-43.06864547729492,
-23.143569946289062,
299.3957214355469,
515.608642578125,
376.0458374... |
[H:32][c:26]1[c:27]([c:28]([c:29]2[c:24]([c:25]1[H:33])[c:23]([n:22][n:21][c:20]2[S:19][C:16]([H:17])([H:18])[C:2](=[O:1])[N:3]([H:15])[c:4]3[c:5]([c:6]([c:7]([c:8]([c:9]3[H:10])[Cl:11])[H:12])[H:13])[H:14])[c:34]4[c:39]([c:38]([c:37]([c:36]([c:35]4[H:44])[H:43])[F:42])[H:41])[H:40])[H:30])[H:31] | [
-1.9792289733886719,
-1.946431040763855,
1.5474610328674316,
-2.1438210010528564,
-2.421905040740967,
0.44885799288749695,
-1.1808160543441772,
-3.071974039077759,
-0.27139198780059814,
0.19668899476528168,
-2.8477330207824707,
-0.18689799308776855,
1.0054470300674438,
-3.3692800998687744,... | [
-1283334.75
] | [
2.189321994781494,
1.233045220375061,
2.883197069168091,
-6.262718200683594,
-13.906488418579102,
0.3335607945919037,
0.5635590553283691,
-12.799416542053223,
-2.471893787384033,
8.844259262084961,
-0.9315205216407776,
2.547410488128662,
-2.285569190979004,
-0.39827340841293335,
1.774779... |
[H+:12].[H:40][c:39]1[c:38]([c:37]([c:36]([c:35]([c:34]1[C:23]2=[C:24]3[C-:29]([C:28](=[C:27]([C:26](=[C:25]3[H:33])[H:32])[H:31])[H:30])/[C:20](=[S+:19]/[C:16]([H:17])([H:18])[C:2](=[O:1])[N:3]([H:15])[C:4]4=[C:5]([C:6](=[C-:7][C:8](=[C:9]4[H:10])[Cl:11])[H:13])[H:14])/[N:21]=[N:22]2)[H:44])[H:43])[F:42])[H:41] | [
2.397020101547241,
2.210361957550049,
2.169450044631958,
3.0058040618896484,
1.500100016593933,
1.2431000471115112,
2.849545955657959,
1.7369290590286255,
-0.13561199605464935,
1.6385999917984009,
2.142596960067749,
-0.7956129908561707,
1.5623719692230225,
1.899806022644043,
-2.311556100... | [
-1282965.625
] | [
60.0543212890625,
-54.8961067199707,
-105.27018737792969,
-120.86390686035156,
97.72163391113281,
86.68726348876953,
-11.548277854919434,
-21.40501594543457,
-19.410844802856445,
-65.45867156982422,
25.5485897064209,
-21.454444885253906,
-239.61676025390625,
118.35565948486328,
212.44371... |
[H:22][c:16]1[c:15]([c:14]([c:13]2[c:18]([c:17]1[H:21])[C:19](=[O:20])[N:10]([C:11]2=[O:12])[C:9]([H:25])([H:26])[C:5]3=[C:6]([S:7][C:3]4=[N+:2]([C:30]([C:27]([N:4]34)([H:28])[H:29])([H:31])[H:32])[C:1]([H:33])([H:34])[H:35])[H:8])[H:24])[H:23] | [
5.77468204498291,
0.7514569759368896,
0.4990040063858032,
4.608794212341309,
0.04873000085353851,
0.0454850010573864,
3.3402678966522217,
0.3611469864845276,
0.2508620023727417,
2.4952900409698486,
-0.5249320268630981,
-0.29648399353027344,
1.1634149551391602,
-0.24083299934864044,
-0.10... | [
-811218.3125
] | [
8.169212341308594,
4.189955234527588,
2.8677847385406494,
-11.27820873260498,
-0.45743876695632935,
-0.6134489178657532,
-1.6031992435455322,
-0.8062753081321716,
-0.4951443076133728,
10.648653030395508,
12.468066215515137,
7.446859836578369,
-13.107422828674316,
11.64809799194336,
8.641... |
[H:12][c:11]1[c:10]([c:9]([c:8]([c:7]([c:6]1[C:4](=[O:5])[N:3]=[C:2]([c:21]2[c:26]([c:25]([c:24]([c:23]([n:22]2)[H:33])[C:29]([F:30])([F:31])[F:32])[H:28])[H:27])[N:1]([H:34])[H:35])[H:20])[H:19])[O:14][C:15]([F:16])([F:17])[F:18])[H:13] | [
-1.6372549533843994,
-2.8938300609588623,
-1.8862390518188477,
-1.3707289695739746,
-2.108386993408203,
-0.8319380283355713,
-0.22222299873828888,
-2.139976978302002,
-0.2773140072822571,
0.31430599093437195,
-1.7839759588241577,
0.9067999720573425,
-0.1632709950208664,
-2.0802369117736816... | [
-935632.6875
] | [
-4.4770283699035645,
-3.019122838973999,
-4.061102867126465,
9.637140274047852,
2.4867639541625977,
3.400555372238159,
-1.900350570678711,
-11.235481262207031,
-16.051918029785156,
-1.958634853363037,
-0.8696906566619873,
4.657667636871338,
0.999656617641449,
3.0829200744628906,
5.009522... |
[H:12][c:11]1[c:10]([c:9]([c:8]([c:7]([c:6]1[C:4](=[O:5])[N:3]=[C:2]([c:21]2[c:26]([c:25]([c:24]([c:23]([n:22]2)[H:33])[C:29]([F:30])([F:31])[F:32])[H:28])[H:27])[N:1]([H:34])[H:35])[H:20])[H:19])[O:14][C:15]([F:16])([F:17])[F:18])[H:13] | [
-3.9002349376678467,
-0.10492599755525589,
2.2607009410858154,
-3.3350911140441895,
-0.3360449969768524,
1.0681099891662598,
-3.6252870559692383,
-1.3775570392608643,
0.38811299204826355,
-3.0133650302886963,
-1.9048049449920654,
-0.70523601770401,
-3.612278938293457,
-2.2747750282287598,
... | [
-935631.8125
] | [
-1.274560809135437,
3.9105401039123535,
5.6425347328186035,
-2.243157148361206,
-5.625584602355957,
-13.31350326538086,
-19.051488876342773,
-1.2511372566223145,
16.034385681152344,
12.888886451721191,
-1.2316648960113525,
-0.5798190832138062,
-0.37729862332344055,
1.202025294303894,
-4.... |
[H:12][c:11]1[c:10]([c:9]([c:8]([c:7]([c:6]1[C:4](=[O:5])[N:3]=[C:2]([c:21]2[c:26]([c:25]([c:24]([c:23]([n:22]2)[H:33])[C:29]([F:30])([F:31])[F:32])[H:28])[H:27])[N:1]([H:34])[H:35])[H:20])[H:19])[O:14][C:15]([F:16])([F:17])[F:18])[H:13] | [
-1.6525709629058838,
-3.2997870445251465,
-0.7925999760627747,
-1.3834079504013062,
-2.1575698852539062,
-0.14431999623775482,
-0.2029220014810562,
-1.9166680574417114,
0.2765690088272095,
0.37915199995040894,
-1.1168220043182373,
1.190310001373291,
-0.00607800018042326,
-0.999791026115417... | [
-935632.5625
] | [
-4.5090131759643555,
-4.510274887084961,
-1.9932750463485718,
9.798439025878906,
4.106388092041016,
0.9386888146400452,
-1.8197941780090332,
-16.386343002319336,
-10.417550086975098,
-2.187364339828491,
0.6089582443237305,
4.825083255767822,
1.1297423839569092,
4.926764011383057,
3.40774... |
[H:12][c:11]1[c:10]([c:9]([c:8]([c:7]([c:6]1[C:4](=[O:5])[N:3]=[C:2]([c:21]2[c:26]([c:25]([c:24]([c:23]([n:22]2)[H:33])[C:29]([F:30])([F:31])[F:32])[H:28])[H:27])[N:1]([H:34])[H:35])[H:20])[H:19])[O:14][C:15]([F:16])([F:17])[F:18])[H:13] | [
-1.7277610301971436,
-3.4163858890533447,
-0.6749370098114014,
-1.4090460538864136,
-2.228203058242798,
-0.14296400547027588,
-0.2165530025959015,
-1.9818819761276245,
0.2443230003118515,
0.3042429983615875,
-1.0678160190582275,
1.0950340032577515,
-0.1586340069770813,
-0.8309730291366577,... | [
-935633.375
] | [
-5.046321868896484,
-3.4093575477600098,
-1.205467700958252,
13.124485969543457,
5.466022968292236,
-0.1584150195121765,
-0.8912844657897949,
-17.991350173950195,
-11.8862886428833,
-2.9238741397857666,
-0.9386532306671143,
7.340639114379883,
1.1623073816299438,
5.987002849578857,
1.3452... |
[H:22][C:14]1=[C-:13][C:12](=[C:11]([C:16](=[C:15]1[C:18]([F:19])([F:20])[F:21])[H:17])[N+:10](=[C:8]=[O:9])[H:28])[H:27].[H:29][C:7](=[O+:6][C:5]([H:31])([H:32])[C:2](=[O:1])[O:3][H:4])[H:30].[C-:23]([F:24])([F:25])[F:26] | [
-3.078547954559326,
-0.654695987701416,
-1.5215970277786255,
-4.005612850189209,
-0.1555349975824356,
-1.2431550025939941,
-4.341513156890869,
1.1921459436416626,
-1.5272079706192017,
-3.7332749366760254,
1.5490100383758545,
-1.9827409982681274,
-5.193055152893066,
-1.059725046157837,
-0... | [
-889285.0625
] | [
265.6623840332031,
-122.07840728759766,
-89.97319030761719,
-292.43035888671875,
109.23390197753906,
62.252506256103516,
-172.6859130859375,
-144.7354278564453,
140.2815399169922,
173.18637084960938,
94.7947006225586,
-121.91571044921875,
-7.79977560043335,
265.2941589355469,
141.9801483... |
[H:22][c:14]1[c:15]([c:16]([c:11]([c:12]([c:13]1[C:23]([F:24])([F:25])[F:26])[H:27])[N:10]([H:28])[C:8](=[O:9])[C:7]([H:29])([H:30])[O:6][C:5]([H:31])([H:32])[C:2](=[O:1])[O:3][H:4])[H:17])[C:18]([F:19])([F:20])[F:21] | [
-4.091698169708252,
-0.3356949985027313,
-2.3283419609069824,
-3.7567999362945557,
-0.6756529808044434,
-1.2892520427703857,
-2.6607160568237305,
-1.2619739770889282,
-0.9586910009384155,
-2.215578079223633,
-1.5792169570922852,
-1.7359089851379395,
-4.824110984802246,
-0.5819159746170044,... | [
-889291.5625
] | [
-16.685422897338867,
39.94846725463867,
-147.47158813476562,
-43.46933364868164,
-23.076265335083008,
87.3697738647461,
37.67146301269531,
-28.48401641845703,
35.10689163208008,
15.513920783996582,
-1.6665066480636597,
-20.861230850219727,
8.98985481262207,
197.3682403564453,
82.83116149... |
[H:22][c:14]1[c:13]([c:12]([c:11]([c:16]([c:15]1[C:18]([F:19])([F:20])[F:21])[H:17])[N+:10](=[C:8]=[O:9])[H:28])[H:27])[C-:23]([F:24])[F:26].[H:29][C:7](=[O+:6][C:5]([H:31])([H:32])[C:2](=[O:1])[O:3][H:4])[H:30].[F-:25] | [
-4.990990161895752,
-0.15391500294208527,
-2.172642946243286,
-4.20096492767334,
-0.4311000108718872,
-1.3165990114212036,
-2.8619279861450195,
-0.28852298855781555,
-1.3640700578689575,
-2.650773048400879,
-0.12388099730014801,
-2.2362489700317383,
-4.891769886016846,
-1.0515639781951904,... | [
-889240.375
] | [
18.083139419555664,
10.578289985656738,
-29.154998779296875,
-30.543617248535156,
-18.723573684692383,
3.443669319152832,
-39.8135871887207,
-25.576475143432617,
71.90955352783203,
21.66817283630371,
21.669109344482422,
-75.91187286376953,
22.28366470336914,
260.359375,
109.5141067504882... |
[H:22][c:14]1[c:15]([c:16]([c:11]([c:12]([c:13]1[C:23]([F:24])([F:25])[F:26])[H:27])[N:10]([H:28])[C:8](=[O:9])[C:7]([H:29])([H:30])[O:6][C:5]([H:31])([H:32])[C:2](=[O:1])[O:3][H:4])[H:17])[C:18]([F:19])([F:20])[F:21] | [
-3.557745933532715,
-1.0587129592895508,
-0.4397740066051483,
-4.6874871253967285,
-0.7198410034179688,
-0.19372500479221344,
-5.7572550773620605,
-1.401798963546753,
-0.5751839876174927,
-5.510209083557129,
-2.209808111190796,
-1.0562939643859863,
-5.0551838874816895,
0.5252270102500916,
... | [
-889606.125
] | [
0.7856835126876831,
-1.8260161876678467,
-0.6201108694076538,
8.905816078186035,
3.5056095123291016,
1.0145469903945923,
-14.139215469360352,
-4.024738311767578,
-1.6160831451416016,
4.693108558654785,
5.143233299255371,
2.9051880836486816,
-0.5519107580184937,
1.6983020305633545,
2.5501... |
[H:22][c:14]1[c:15]([c:16]([c:11]([c:12]([c:13]1[C:23]([F:24])([F:25])[F:26])[H:27])[N:10]([H:28])[C:8](=[O:9])[C:7]([H:29])([H:30])[O:6][C:5]([H:31])([H:32])[C:2](=[O:1])[O:3][H:4])[H:17])[C:18]([F:19])([F:20])[F:21] | [
-4.784328937530518,
-1.5419960021972656,
0.058451998978853226,
-5.435603141784668,
-0.6235439777374268,
-0.0342710018157959,
-6.758847236633301,
-0.6428170204162598,
-0.0737679973244667,
-7.12202787399292,
-1.701982021331787,
-0.08062099665403366,
-5.151774883270264,
0.6708660125732422,
... | [
-889304.8125
] | [
113.73826599121094,
-135.99671936035156,
18.171812057495117,
-153.2646484375,
-24.478673934936523,
-24.836946487426758,
-99.6263198852539,
-119.16292572021484,
-0.912176251411438,
38.6544303894043,
99.50526428222656,
2.4786505699157715,
-3.0961906909942627,
267.5841064453125,
38.35287475... |
[H:23][c:18]1[c:19]([c:20]([c:15]([c:16]([c:17]1[H:24])[H:25])[C:14]2=[N:13][N:12]=[C:11]([O:26]2)[N:10]([H:27])[C:9]3=[N:8][c:7]4[c:2]([c:3]([c:4]([c:5]([c:6]4[S:28]3)[H:29])[H:30])[H:31])[F:1])[H:21])[H:22] | [
3.6882970333099365,
2.707103967666626,
0.06100599840283394,
4.317527770996094,
1.4653960466384888,
-0.02588699944317341,
5.695559024810791,
1.416843056678772,
-0.04952400177717209,
6.16105318069458,
0.025690000504255295,
-0.04809800162911415,
5.342537879943848,
-1.2547520399093628,
-0.17... | [
-858953.0625
] | [
22.452939987182617,
-35.296852111816406,
-8.422468185424805,
-83.3171157836914,
-19.548812866210938,
30.450414657592773,
-96.40717315673828,
-118.80033874511719,
-1.4529390335083008,
-45.75360107421875,
-53.78883361816406,
-14.83335018157959,
-61.819766998291016,
287.834716796875,
9.9817... |
[H:22][c:17]1[c:18]([c:19]([c:14]([c:15]([c:16]1[H:23])[H:24])[C:7]2=[N:6][P:5](=[N:4][C:3]3=[C:8]2[C:9](=[N:10][N:2]3[C:1]([H:53])([H:54])[H:55])[N:11]([H:12])[H:13])([N:25]4[C:33]([C:31]([O:30][C:28]([C:26]4([H:27])[H:38])([H:29])[H:37])([H:32])[H:36])([H:34])[H:35])[N:39]5[C:46]([C:44]([O:43][C:41]([C:40]5([H:51])[H... | [
-0.31139200925827026,
-4.582341194152832,
0.08388999849557877,
-1.0057790279388428,
-3.3371329307556152,
-0.048976000398397446,
-0.4800580143928528,
-2.108112096786499,
-0.031690001487731934,
0.8196200132369995,
-1.8506759405136108,
0.14894099533557892,
1.168302059173584,
-0.26201501488685... | [
-1013295.9375
] | [
0.0017301129410043359,
-4.097169399261475,
0.5241056084632874,
5.262109279632568,
12.314055442810059,
-0.2493271678686142,
6.209955215454102,
0.18131321668624878,
1.1154863834381104,
0.7467969059944153,
18.82670021057129,
-0.6413904428482056,
14.119681358337402,
-10.541776657104492,
-4.1... |
[H:22][c:17]1[c:18]([c:19]([c:14]([c:15]([c:16]1[H:23])[H:24])[C:7]2=[N:6][P:5](=[N:4][C:3]3=[C:8]2[C:9](=[N:10][N:2]3[C:1]([H:53])([H:54])[H:55])[N:11]([H:12])[H:13])([N:25]4[C:33]([C:31]([O:30][C:28]([C:26]4([H:27])[H:38])([H:29])[H:37])([H:32])[H:36])([H:34])[H:35])[N:39]5[C:46]([C:44]([O:43][C:41]([C:40]5([H:51])[H... | [
0.015519999898970127,
-4.187279224395752,
1.3101969957351685,
-0.7827709913253784,
-3.0486490726470947,
0.9688109755516052,
-0.36238500475883484,
-1.8053029775619507,
0.7191630005836487,
0.9225320219993591,
-1.422842025756836,
0.7580299973487854,
1.1135599613189697,
0.10942099988460541,
... | [
-1013289.1875
] | [
0.27822208404541016,
-3.7777340412139893,
1.1472035646438599,
4.357510566711426,
12.466575622558594,
-3.8276169300079346,
6.948616027832031,
0.5478706359863281,
2.6469411849975586,
1.302724003791809,
15.437950134277344,
-8.549863815307617,
5.730304718017578,
-3.666804075241089,
10.127254... |
[H:15][c:14]1[c:13]([c:12]([c:11]([c:10]([c:9]1[C@@:8]2([C:20]([C@@:23]([N:24]3[C:5](=[C:4]([C:26](=[N:25]3)[H:27])[C:2](=[O:3])[N:1]([H:34])[H:35])[N:6]2[H:7])([H:28])[C:29]([F:30])([F:31])[F:32])([H:21])[H:22])[H:33])[H:19])[H:18])[F:17])[H:16] | [
2.720093011856079,
4.2206339836120605,
-0.21117299795150757,
1.7737289667129517,
3.2514259815216064,
-0.22009800374507904,
0.6311190128326416,
3.464797019958496,
-0.6061180233955383,
2.1874990463256836,
1.9369820356369019,
0.24650800228118896,
1.307731032371521,
0.851373016834259,
0.2725... | [
-774652.625
] | [
3.2486183643341064,
6.906515598297119,
-0.6501501202583313,
5.916503429412842,
-4.555851936340332,
2.6145219802856445,
-7.070992946624756,
2.106626510620117,
-2.4475724697113037,
-8.604764938354492,
-7.224640846252441,
-2.3441145420074463,
9.582052230834961,
9.890839576721191,
3.25180459... |
[H:12][c:11]1[c:10]([c:9]([c:8]([c:7]([c:6]1[N:5]([H:17])[C:4](=[S:18])[N:3]([H:19])[C:2](=[O:1])[C:20]2([C:22]([C:21]2([H:25])[H:26])([H:23])[H:24])[H:27])[H:16])[Cl:15])[Br:14])[H:13] | [
-3.7857320308685303,
-1.4813100099563599,
-0.006554000079631805,
-4.387604236602783,
-0.4194290041923523,
-0.003298999974504113,
-3.748326063156128,
0.7948729991912842,
0.0011690000537782907,
-2.380419969558716,
1.0628559589385986,
0.0028150000143796206,
-1.5856740474700928,
-0.01898699998... | [
-2536604.75
] | [
-1.3663504123687744,
-6.1381964683532715,
0.0033452012576162815,
-0.9398390650749207,
2.132523536682129,
0.013167357072234154,
-5.081819534301758,
-3.714444398880005,
-0.05673560872673988,
7.652756690979004,
3.3337602615356445,
0.0955878496170044,
-25.58499526977539,
-9.881464958190918,
... |
[H:12][c:11]1[c:10]([c:9]([c:8]([c:7]([c:6]1[N:5]([H:17])[C:4](=[S:18])[N:3]([H:19])[C:2](=[O:1])[C:20]2([C:22]([C:21]2([H:25])[H:26])([H:23])[H:24])[H:27])[H:16])[Cl:15])[Br:14])[H:13] | [
3.6643869876861572,
1.9930380582809448,
0.0563649982213974,
4.464306831359863,
0.9810609817504883,
-0.02812900021672249,
3.9450409412384033,
-0.18345999717712402,
-0.047377001494169235,
2.5058510303497314,
-0.700465977191925,
-0.046188998967409134,
1.5827369689941406,
0.15604600310325623,
... | [
-2536418.5
] | [
32.54444122314453,
-35.12833023071289,
-13.600621223449707,
-205.95591735839844,
131.94244384765625,
30.531147003173828,
-127.5497817993164,
-109.73005676269531,
-9.062335014343262,
63.1715087890625,
-80.3429183959961,
3.9223759174346924,
-59.362300872802734,
143.64764404296875,
35.05466... |
[H:27][c:26]1[c:25]([c:24]([c:23]([c:22]([c:21]1[C:19](=[O:20])[C:13](=[N+:8]2[C:9](=[C:10]([C:5](=[N+:4]([H:34])[C:2](=[O:3])[C:1]([H:35])([H:36])[H:37])[C:6](=[C:7]2[H:32])[H:33])[H:11])[H:12])[H:18])[H:31])[H:30])[Cl:29])[H:28].[H:15][C-:14]([H:16])[H:17] | [
-7.324615955352783,
-0.892553985118866,
-0.7200369834899902,
-5.899880886077881,
-0.824446976184845,
-0.11002100259065628,
-5.598134994506836,
-1.2972500324249268,
0.8752599954605103,
-5.098893165588379,
0.004284000024199486,
-0.8039019703865051,
-3.8480629920959473,
0.1536950021982193,
... | [
-840153.125
] | [
-20.106597900390625,
12.674760818481445,
-19.035776138305664,
-137.955322265625,
38.7584342956543,
-84.28079986572266,
33.79296875,
-83.61431121826172,
135.19635009765625,
-37.24497604370117,
3.5503921508789062,
-68.48394012451172,
120.6150131225586,
71.6087646484375,
93.5911865234375,
... |
[H+:18].[H:27][c:26]1[c:25]([c:24]([c:23]([c:22]([c:21]1[C:19](=[O:20])[C-:13]([C:14]([H:15])([H:16])[H:17])[n+:8]2[c:9]([c:10]([c:5]([c:6]([c:7]2[H:32])[H:33])[N:4]([H:34])[C:2](=[O:3])[C:1]([H:35])([H:36])[H:37])[H:11])[H:12])[H:31])[H:30])[Cl:29])[H:28] | [
7.466310024261475,
-1.129304051399231,
0.34191301465034485,
6.273623943328857,
-0.5265210270881653,
0.687300980091095,
6.05065393447876,
0.04164699837565422,
1.7426220178604126,
5.212617874145508,
-0.5738949775695801,
-0.3619770109653473,
3.906864881515503,
-0.2552359998226166,
-0.447589... | [
-840101.125
] | [
-100.72834014892578,
143.977294921875,
-164.29212951660156,
-113.47281646728516,
69.7071762084961,
61.458465576171875,
-0.08496052026748657,
-16.90236473083496,
-36.87669372558594,
25.312822341918945,
-36.31752014160156,
-37.09102249145508,
0.2744642198085785,
81.8489990234375,
215.88137... |
[H:27][c:26]1[c:25]([c:24]([c:23]([c:22]([c:21]1[C:19](=[O:20])[C@:13]([H:18])([C:14]([H:15])([H:16])[H:17])[n+:8]2[c:9]([c:10]([c:5]([c:6]([c:7]2[H:32])[H:33])[N:4]([H:34])[C:2](=[O:3])[C:1]([H:35])([H:36])[H:37])[H:11])[H:12])[H:31])[H:30])[Cl:29])[H:28] | [
-7.428181171417236,
-1.1450510025024414,
-0.05706600099802017,
-6.187623023986816,
-0.42237401008605957,
0.3656280040740967,
-6.070746898651123,
0.26090899109840393,
1.3422590494155884,
-5.1254401206970215,
-0.6283140182495117,
-0.536316990852356,
-3.8631370067596436,
-0.1360049992799759,
... | [
-840424
] | [
-6.216390609741211,
0.7385186553001404,
4.838569641113281,
-1.7929174900054932,
-3.792527198791504,
-5.460682392120361,
-0.0012557845329865813,
3.0137453079223633,
4.931168079376221,
-0.12147313356399536,
-5.135507583618164,
-7.82825231552124,
14.025659561157227,
6.8913893699646,
3.07835... |
[H:29]/[C-:24]=[C:23](/[C:22](=[C:21](\[C:26](=[C-:25]\[F:28])\[F:27])/[N:20]([H:32])[N:19]([H:33])[C:17](=[O:18])[C:4]1=[N+:3]=[N+:2]([C:11](=[O:12])[c:10]2[c:5]1[c:6]([c:7]([c:8]([c:9]2[H:13])[H:14])[H:15])[H:16])[C:1]([H:34])([H:35])[H:36])/[F:31])\[F:30] | [
-0.061159998178482056,
-2.415605068206787,
-0.5694959759712219,
1.1284220218658447,
-1.4977190494537354,
-0.4303170144557953,
0.7777439951896667,
-0.1698720008134842,
-0.12100499868392944,
1.5568389892578125,
0.6357529759407043,
0.08261899650096893,
2.943350076675415,
0.23429900407791138,
... | [
-868502.4375
] | [
-13.608360290527344,
-6.410982608795166,
-106.73847961425781,
-437.6896667480469,
157.02662658691406,
80.90818786621094,
-280.1532287597656,
-248.2320098876953,
-37.045135498046875,
211.5666046142578,
93.05534362792969,
13.646109580993652,
6.011316776275635,
289.2508544921875,
115.230308... |
[H:15][c:7]1[c:8]([c:9]([c:10]2[c:5]([c:6]1[H:16])[C:4](=[N:3][N:2]([C:11]2=[O:12])[C:1]([H:34])([H:35])[H:36])[C:17](=[O:18])[N:19]([H:33])[N:20]([H:32])[c:21]3[c:22]([c:23]([c:24]([c:25]([c:26]3[F:27])[F:28])[H:29])[F:30])[F:31])[H:13])[H:14] | [
-3.21645188331604,
-3.0013620853424072,
1.3026080131530762,
-3.1711809635162354,
-1.653663992881775,
0.7804279923439026,
-2.0263030529022217,
-1.0184040069580078,
0.9189059734344482,
-1.8674540519714355,
0.19471000134944916,
0.47994500398635864,
-2.930490016937256,
0.9089260101318359,
-0... | [
-868893.125
] | [
-4.310207843780518,
-9.229928970336914,
2.1953935623168945,
-9.309077262878418,
1.1912248134613037,
-2.012197256088257,
18.00516128540039,
17.048404693603516,
-1.9187201261520386,
-12.608946800231934,
-11.69972038269043,
1.315993309020996,
-12.027085304260254,
-3.298936367034912,
-2.4337... |
[H:15][c:7]1[c:8]([c:9]([c:10]2[c:5]([c:6]1[H:16])[C:4](=[N:3][N:2]([C:11]2=[O:12])[C:1]([H:34])([H:35])[H:36])[C:17](=[O:18])[N:19]([H:33])[N:20]([H:32])[c:21]3[c:22]([c:23]([c:24]([c:25]([c:26]3[F:27])[F:28])[H:29])[F:30])[F:31])[H:13])[H:14] | [
-1.036260962486267,
-0.679660975933075,
3.173358917236328,
-0.042201001197099686,
-0.28825899958610535,
2.197627067565918,
-0.19193899631500244,
0.9295719861984253,
1.7020490169525146,
0.6353849768638611,
1.397218942642212,
0.8294060230255127,
1.7703440189361572,
0.6478620171546936,
0.36... | [
-868889.6875
] | [
-4.552340984344482,
-4.723342418670654,
6.501852035522461,
9.337457656860352,
-8.147187232971191,
-0.09225806593894958,
-1.5369046926498413,
24.98052406311035,
-9.892545700073242,
-0.6487745642662048,
-6.586325168609619,
13.22529125213623,
4.1496477127075195,
-12.24181079864502,
4.044647... |
[H:15][c:7]1[c:8]([c:9]([c:10]2[c:5]([c:6]1[H:16])[C:4](=[N:3][N:2]([C:11]2=[O:12])[C:1]([H:34])([H:35])[H:36])[C:17](=[O:18])[N:19]([H:33])[N:20]([H:32])[c:21]3[c:22]([c:23]([c:24]([c:25]([c:26]3[F:27])[F:28])[H:29])[F:30])[F:31])[H:13])[H:14] | [
-1.5092799663543701,
-1.2780590057373047,
-2.804637908935547,
-0.2568739950656891,
-0.980774998664856,
-2.07143497467041,
0.08823800086975098,
0.3969059884548187,
-2.0233240127563477,
1.0143389701843262,
0.6453890204429626,
-1.3314590454101562,
1.800150990486145,
-0.4285700023174286,
-0.... | [
-868551.3125
] | [
-31.65387725830078,
17.36530303955078,
-99.29405212402344,
-160.83035278320312,
263.4101257324219,
-190.7288360595703,
-172.8645477294922,
-67.02288055419922,
-111.60505676269531,
116.3134994506836,
-77.93236541748047,
82.93048858642578,
124.73430633544922,
212.09918212890625,
107.028144... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.